5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide

C31H45N7O2 — CID 123635494

IUPAC5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
SMILESCN1CCC(c2ccc(Nc3nc(N4CCCC(NC(=O)C5CCCCCCC5)C4)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C31H45N7O2/c1-37-18-15-23(16-19-37)22-11-13-25(14-12-22)34-30-28(29(32)39)33-20-27(36-30)38-17-7-10-26(21-38)35-31(40)24-8-5-3-2-4-6-9-24/h11-14,20,23-24,26H,2-10,15-19,21H2,1H3,(H2,32,39)(H,34,36)(H,35,40)
InChIKeyHSEDTGOHKQNHAI-UHFFFAOYSA-N
MW547.75 g/mol
LogP4.57
Rot. Bonds7

About 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide

5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide (PubChem CID 123635494) has the molecular formula C31H45N7O2 and a molecular weight of 547.75 g/mol. Its IUPAC name is 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
PubChem CID123635494
Molecular FormulaC31H45N7O2
Molecular Weight547.75 g/mol
Exact Mass547.36
IUPAC Name5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
SMILESCN1CCC(c2ccc(Nc3nc(N4CCCC(NC(=O)C5CCCCCCC5)C4)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C31H45N7O2/c1-37-18-15-23(16-19-37)22-11-13-25(14-12-22)34-30-28(29(32)39)33-20-27(36-30)38-17-7-10-26(21-38)35-31(40)24-8-5-3-2-4-6-9-24/h11-14,20,23-24,26H,2-10,15-19,21H2,1H3,(H2,32,39)(H,34,36)(H,35,40)
InChIKeyHSEDTGOHKQNHAI-UHFFFAOYSA-N
XLogP4.57
TPSA116.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.75
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 129156598
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[3-(propanoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115244
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)azepan-1-yl]pyrazine-2-carboxamide
CID 118114936
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
ethane;4-ethoxybenzamide;3-[4-(1-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 144857937
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114897
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114616
5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
CID 123243171
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-3-[4-(4,4-difluoropiperidin-1-yl)anilino]pyrazine-2-carboxamide
CID 145201377
3-[4-(1-cyclopropylpiperidin-4-yl)anilino]-5-[3-(naphthalene-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115364
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-[(5-fluoropyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118114674

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide (CID 123635494) is 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide is CN1CCC(c2ccc(Nc3nc(N4CCCC(NC(=O)C5CCCCCCC5)C4)cnc3C(N)=O)cc2)CC1.
What is the InChIKey of 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The InChIKey is HSEDTGOHKQNHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N7O2/c1-37-18-15-23(16-19-37)22-11-13-25(14-12-22)34-30-28(29(32)39)33-20-27(36-30)38-17-7-10-26(21-38)35-31(40)24-8-5-3-2-4-6-9-24/h11-14,20,23-24,26H,2-10,15-19,21H2,1H3,(H2,32,39)(H,34,36)(H,35,40).
What are the key properties of 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide has a molecular weight of 547.75 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 123635494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).