(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C22H29N5O2 — CID 94080403

IUPAC(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C22H29N5O2/c28-21(24-18-7-3-1-2-4-8-18)17-6-5-13-27(15-17)22(29)20-14-19(25-26-20)16-9-11-23-12-10-16/h9-12,14,17-18H,1-8,13,15H2,(H,24,28)(H,25,26)/t17-/m1/s1
InChIKeyHKIFZBXZKVPRIJ-QGZVFWFLSA-N
MW395.51 g/mol
LogP3.16
Rot. Bonds4

About (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 94080403) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID94080403
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C22H29N5O2/c28-21(24-18-7-3-1-2-4-8-18)17-6-5-13-27(15-17)22(29)20-14-19(25-26-20)16-9-11-23-12-10-16/h9-12,14,17-18H,1-8,13,15H2,(H,24,28)(H,25,26)/t17-/m1/s1
InChIKeyHKIFZBXZKVPRIJ-QGZVFWFLSA-N
XLogP3.16
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
N-butan-2-yl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50800008
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
(3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044608
(3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044623
[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 50800047
(3S)-N-[(4-methoxyphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044631
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3R)-N-propan-2-yl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892697
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 94080403) is (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is O=C(NC1CCCCCC1)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1.
What is the InChIKey of (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is HKIFZBXZKVPRIJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21(24-18-7-3-1-2-4-8-18)17-6-5-13-27(15-17)22(29)20-14-19(25-26-20)16-9-11-23-12-10-16/h9-12,14,17-18H,1-8,13,15H2,(H,24,28)(H,25,26)/t17-/m1/s1.
What are the key properties of (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 94080403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).