N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

C21H25FN4O2 — CID 97343262

IUPACN-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1)C1CCCC1
InChIInChI=1S/C21H25FN4O2/c22-17-9-3-7-15(11-17)21(28)26-10-4-8-16(13-26)19-18(12-23-25-19)24-20(27)14-5-1-2-6-14/h3,7,9,11-12,14,16H,1-2,4-6,8,10,13H2,(H,23,25)(H,24,27)/t16-/m1/s1
InChIKeyQTICHJDFUKNAQR-MRXNPFEDSA-N
MW384.46 g/mol
LogP3.70
Rot. Bonds4

About N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 97343262) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID97343262
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1)C1CCCC1
InChIInChI=1S/C21H25FN4O2/c22-17-9-3-7-15(11-17)21(28)26-10-4-8-16(13-26)19-18(12-23-25-19)24-20(27)14-5-1-2-6-14/h3,7,9,11-12,14,16H,1-2,4-6,8,10,13H2,(H,23,25)(H,24,27)/t16-/m1/s1
InChIKeyQTICHJDFUKNAQR-MRXNPFEDSA-N
XLogP3.70
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343244
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-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344701
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
N-[5-[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343980
(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110234470
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 97343262) is N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1)C1CCCC1.
What is the InChIKey of N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is QTICHJDFUKNAQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-17-9-3-7-15(11-17)21(28)26-10-4-8-16(13-26)19-18(12-23-25-19)24-20(27)14-5-1-2-6-14/h3,7,9,11-12,14,16H,1-2,4-6,8,10,13H2,(H,23,25)(H,24,27)/t16-/m1/s1.
What are the key properties of N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 97343262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).