[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid

C23H28N6O5 — CID 174813390

IUPAC[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid
SMILESNC(=O)c1ncc(N2CCC[C@@H](NC(=O)O)C2)cc1Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H28N6O5/c24-21(30)20-19(12-18(13-25-20)29-7-1-2-17(14-29)27-23(32)33)26-16-5-3-15(4-6-16)22(31)28-8-10-34-11-9-28/h3-6,12-13,17,26-27H,1-2,7-11,14H2,(H2,24,30)(H,32,33)/t17-/m1/s1
InChIKeyFWRCMXFZOHRTIB-QGZVFWFLSA-N
MW468.51 g/mol
LogP1.63
Rot. Bonds6

About [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid

[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid (PubChem CID 174813390) has the molecular formula C23H28N6O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid
PubChem CID174813390
Molecular FormulaC23H28N6O5
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid
SMILESNC(=O)c1ncc(N2CCC[C@@H](NC(=O)O)C2)cc1Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H28N6O5/c24-21(30)20-19(12-18(13-25-20)29-7-1-2-17(14-29)27-23(32)33)26-16-5-3-15(4-6-16)22(31)28-8-10-34-11-9-28/h3-6,12-13,17,26-27H,1-2,7-11,14H2,(H2,24,30)(H,32,33)/t17-/m1/s1
InChIKeyFWRCMXFZOHRTIB-QGZVFWFLSA-N
XLogP1.63
TPSA150.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid with MolForge

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Related Compounds

3-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118114736
N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118115009
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3S)-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 138504232
butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate
CID 67128191
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-(pyrimidine-2-carbonylamino)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 159269421
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 158254577
3-[3-(4-methoxyanilino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118143269
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide
CID 158305792
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 159456829
2-(3-benzamidopiperidin-1-yl)-4-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a][1,3,5]triazine-7-carboxamide
CID 68593947
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-[4-(trifluoromethyl)anilino]piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 118143113
5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide
CID 118115182

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid (CID 174813390) is [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid is NC(=O)c1ncc(N2CCC[C@@H](NC(=O)O)C2)cc1Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid?
The InChIKey is FWRCMXFZOHRTIB-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N6O5/c24-21(30)20-19(12-18(13-25-20)29-7-1-2-17(14-29)27-23(32)33)26-16-5-3-15(4-6-16)22(31)28-8-10-34-11-9-28/h3-6,12-13,17,26-27H,1-2,7-11,14H2,(H2,24,30)(H,32,33)/t17-/m1/s1.
What are the key properties of [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid?
[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid has a molecular weight of 468.51 g/mol, XLogP of 1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 174813390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).