N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride

C16H22ClFN2O — CID 119284923

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNCC1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O.ClH/c17-14-3-1-2-12(10-14)11-19(15-4-5-15)16(20)13-6-8-18-9-7-13;/h1-3,10,13,15,18H,4-9,11H2;1H
InChIKeyPKQGKMCSVGCJIQ-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.74
Rot. Bonds4

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride

N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119284923) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119284923
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNCC1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O.ClH/c17-14-3-1-2-12(10-14)11-19(15-4-5-15)16(20)13-6-8-18-9-7-13;/h1-3,10,13,15,18H,4-9,11H2;1H
InChIKeyPKQGKMCSVGCJIQ-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
N-cyclopropyl-1-(2,2-dimethylpropanoyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55582556
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435078
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119284923) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(C1CCNCC1)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is PKQGKMCSVGCJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c17-14-3-1-2-12(10-14)11-19(15-4-5-15)16(20)13-6-8-18-9-7-13;/h1-3,10,13,15,18H,4-9,11H2;1H.
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119284923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).