N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

C22H28N4O2 — CID 75473820

IUPACN-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn[nH]c1C1CCCN(C(=O)C2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(16-8-3-1-4-9-16)24-19-14-23-25-20(19)18-12-7-13-26(15-18)22(28)17-10-5-2-6-11-17/h1,3-4,8-9,14,17-18H,2,5-7,10-13,15H2,(H,23,25)(H,24,27)
InChIKeyJWJJUOYNACKXLD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.95
Rot. Bonds4

About N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 75473820) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID75473820
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn[nH]c1C1CCCN(C(=O)C2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(16-8-3-1-4-9-16)24-19-14-23-25-20(19)18-12-7-13-26(15-18)22(28)17-10-5-2-6-11-17/h1,3-4,8-9,14,17-18H,2,5-7,10-13,15H2,(H,23,25)(H,24,27)
InChIKeyJWJJUOYNACKXLD-UHFFFAOYSA-N
XLogP3.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
N-[5-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343244
N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75474491
N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343262
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75473787
N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344701
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344709

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (CID 75473820) is N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is O=C(Nc1cn[nH]c1C1CCCN(C(=O)C2CCCCC2)C1)c1ccccc1.
What is the InChIKey of N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is JWJJUOYNACKXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21(16-8-3-1-4-9-16)24-19-14-23-25-20(19)18-12-7-13-26(15-18)22(28)17-10-5-2-6-11-17/h1,3-4,8-9,14,17-18H,2,5-7,10-13,15H2,(H,23,25)(H,24,27).
What are the key properties of N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 75473820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).