(3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide

C18H27N5O2 — CID 95903893

IUPAC(3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCc3[nH]ncc3C2)C1
InChIInChI=1S/C18H27N5O2/c24-17(22-9-7-16-14(12-22)10-19-21-16)13-4-3-8-23(11-13)18(25)20-15-5-1-2-6-15/h10,13,15H,1-9,11-12H2,(H,19,21)(H,20,25)/t13-/m0/s1
InChIKeyICBYIBYVUKQCAR-ZDUSSCGKSA-N
MW345.45 g/mol
LogP1.66
Rot. Bonds2

About (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide

(3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide (PubChem CID 95903893) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide
PubChem CID95903893
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCc3[nH]ncc3C2)C1
InChIInChI=1S/C18H27N5O2/c24-17(22-9-7-16-14(12-22)10-19-21-16)13-4-3-8-23(11-13)18(25)20-15-5-1-2-6-15/h10,13,15H,1-9,11-12H2,(H,19,21)(H,20,25)/t13-/m0/s1
InChIKeyICBYIBYVUKQCAR-ZDUSSCGKSA-N
XLogP1.66
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide with MolForge

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Related Compounds

1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45210551
1-(1-acetylpiperidin-4-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 53505690
4-(2-amino-2-oxoethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 53510163
4-(cyclohexylmethyl)-3-[2-oxo-2-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-2-piperazinone
CID 56900947
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
CID 71894156
(3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide
CID 125140069
1-Propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea
CID 126817155
1-[2-(1,4,6,7-Tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]imidazolidin-2-one
CID 128428334
(3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 164643432
3-(1,4,6,7-Tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-6-(trifluoromethyl)piperidin-2-one
CID 132302755
1-Cyclopentyl-6-oxo-N-[2-(1H-pyrazol-3-YL)ethyl]piperidine-3-carboxamide
CID 119067836
3-cyclohexyl-1-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea
CID 138994204

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide (CID 95903893) is (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCc3[nH]ncc3C2)C1.
What is the InChIKey of (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide?
The InChIKey is ICBYIBYVUKQCAR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-17(22-9-7-16-14(12-22)10-19-21-16)13-4-3-8-23(11-13)18(25)20-15-5-1-2-6-15/h10,13,15H,1-9,11-12H2,(H,19,21)(H,20,25)/t13-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide?
(3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 95903893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).