N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide

C21H27FN2O2 — CID 49352658

IUPACN-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C21H27FN2O2/c22-17-7-5-16(6-8-17)21(11-1-2-12-21)20(26)24-13-3-4-15(14-24)19(25)23-18-9-10-18/h5-8,15,18H,1-4,9-14H2,(H,23,25)
InChIKeyZACUSROJPVSEKU-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.15
Rot. Bonds4

About N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide (PubChem CID 49352658) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide
PubChem CID49352658
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC NameN-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C21H27FN2O2/c22-17-7-5-16(6-8-17)21(11-1-2-12-21)20(26)24-13-3-4-15(14-24)19(25)23-18-9-10-18/h5-8,15,18H,1-4,9-14H2,(H,23,25)
InChIKeyZACUSROJPVSEKU-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398088
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 56812467
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
1-[1-(4-methylphenyl)cyclobutanecarbonyl]-N-phenylpiperidine-3-carboxamide
CID 142125162
N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
CID 71879972
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide (CID 49352658) is N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1.
What is the InChIKey of N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide?
The InChIKey is ZACUSROJPVSEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c22-17-7-5-16(6-8-17)21(11-1-2-12-21)20(26)24-13-3-4-15(14-24)19(25)23-18-9-10-18/h5-8,15,18H,1-4,9-14H2,(H,23,25).
What are the key properties of N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 49352658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).