5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide

C59H85N15O3 — CID 157187349

IUPAC5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCC[C@@H](N)C2)nc1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1.NC(=O)c1ncc(N2CCC[C@@H](NC(=O)NC3CCCCC3)C2)nc1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C33H48N8O2.C26H37N7O/c34-31(42)30-32(36-26-14-12-23(13-15-26)24-16-19-40(20-17-24)28-10-4-5-11-28)39-29(21-35-30)41-18-6-9-27(22-41)38-33(43)37-25-7-2-1-3-8-25;27-20-4-3-13-33(17-20)23-16-29-24(25(28)34)26(31-23)30-21-9-7-18(8-10-21)19-11-14-32(15-12-19)22-5-1-2-6-22/h12-15,21,24-25,27-28H,1-11,16-20,22H2,(H2,34,42)(H,36,39)(H2,37,38,43);7-10,16,19-20,22H,1-6,11-15,17,27H2,(H2,28,34)(H,30,31)/t27-;20-/m11/s1
InChIKeyAPGVSVMKKBSYLK-SLNUQKARSA-N
MW1052.43 g/mol
LogP8.41
Rot. Bonds14

About 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide

5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide (PubChem CID 157187349) has the molecular formula C59H85N15O3 and a molecular weight of 1052.43 g/mol. Its IUPAC name is 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
PubChem CID157187349
Molecular FormulaC59H85N15O3
Molecular Weight1052.43 g/mol
Exact Mass1051.70
IUPAC Name5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCC[C@@H](N)C2)nc1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1.NC(=O)c1ncc(N2CCC[C@@H](NC(=O)NC3CCCCC3)C2)nc1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C33H48N8O2.C26H37N7O/c34-31(42)30-32(36-26-14-12-23(13-15-26)24-16-19-40(20-17-24)28-10-4-5-11-28)39-29(21-35-30)41-18-6-9-27(22-41)38-33(43)37-25-7-2-1-3-8-25;27-20-4-3-13-33(17-20)23-16-29-24(25(28)34)26(31-23)30-21-9-7-18(8-10-21)19-11-14-32(15-12-19)22-5-1-2-6-22/h12-15,21,24-25,27-28H,1-11,16-20,22H2,(H2,34,42)(H,36,39)(H2,37,38,43);7-10,16,19-20,22H,1-6,11-15,17,27H2,(H2,28,34)(H,30,31)/t27-;20-/m11/s1
InChIKeyAPGVSVMKKBSYLK-SLNUQKARSA-N
XLogP8.41
TPSA241.91 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001052.43
LogP ≤ 58.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide with MolForge

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Related Compounds

5-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 129156598
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[3-(propanoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115244
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114897
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)azepan-1-yl]pyrazine-2-carboxamide
CID 118114936
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-[(5-fluoropyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118114674
3-[4-(1-cyclopropylpiperidin-4-yl)anilino]-5-[3-(naphthalene-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115364
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 123635494
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylsulfamoylmethyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 159998183
3-[4-(1-cyclopentylpiperidin-4-yl)oxyanilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 145201117
3-[4-(1-cyclopropylpiperidin-4-yl)anilino]-5-[(3R)-3-[(4-phenylphenyl)carbamoyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 140731353

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide (CID 157187349) is 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide is NC(=O)c1ncc(N2CCC[C@@H](N)C2)nc1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1.NC(=O)c1ncc(N2CCC[C@@H](NC(=O)NC3CCCCC3)C2)nc1Nc1ccc(C2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The InChIKey is APGVSVMKKBSYLK-SLNUQKARSA-N. The full InChI is InChI=1S/C33H48N8O2.C26H37N7O/c34-31(42)30-32(36-26-14-12-23(13-15-26)24-16-19-40(20-17-24)28-10-4-5-11-28)39-29(21-35-30)41-18-6-9-27(22-41)38-33(43)37-25-7-2-1-3-8-25;27-20-4-3-13-33(17-20)23-16-29-24(25(28)34)26(31-23)30-21-9-7-18(8-10-21)19-11-14-32(15-12-19)22-5-1-2-6-22/h12-15,21,24-25,27-28H,1-11,16-20,22H2,(H2,34,42)(H,36,39)(H2,37,38,43);7-10,16,19-20,22H,1-6,11-15,17,27H2,(H2,28,34)(H,30,31)/t27-;20-/m11/s1.
What are the key properties of 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide has a molecular weight of 1052.43 g/mol, XLogP of 8.41, 14 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 157187349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).