N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide

C15H23N5O2 — CID 129339806

IUPACN-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCCNC1=O)c1ccn([C@@H]2CCCNC2)n1
InChIInChI=1S/C15H23N5O2/c21-14-12(5-1-2-8-17-14)18-15(22)13-6-9-20(19-13)11-4-3-7-16-10-11/h6,9,11-12,16H,1-5,7-8,10H2,(H,17,21)(H,18,22)/t11-,12-/m1/s1
InChIKeyWLLNFNOAQFWGPN-VXGBXAGGSA-N
MW305.38 g/mol
LogP0.21
Rot. Bonds3

About N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide

N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 129339806) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID129339806
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCCNC1=O)c1ccn([C@@H]2CCCNC2)n1
InChIInChI=1S/C15H23N5O2/c21-14-12(5-1-2-8-17-14)18-15(22)13-6-9-20(19-13)11-4-3-7-16-10-11/h6,9,11-12,16H,1-5,7-8,10H2,(H,17,21)(H,18,22)/t11-,12-/m1/s1
InChIKeyWLLNFNOAQFWGPN-VXGBXAGGSA-N
XLogP0.21
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
CID 79317007
N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129476176
1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride
CID 129001736
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 128997121
6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 62092824
N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129476053
1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 128995991
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129330943
6-amino-N-(2-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 55041508
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146126262
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 94517659

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide (CID 129339806) is N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide is O=C(N[C@@H]1CCCCNC1=O)c1ccn([C@@H]2CCCNC2)n1.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is WLLNFNOAQFWGPN-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-14-12(5-1-2-8-17-14)18-15(22)13-6-9-20(19-13)11-4-3-7-16-10-11/h6,9,11-12,16H,1-5,7-8,10H2,(H,17,21)(H,18,22)/t11-,12-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 129339806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).