N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide

C15H16ClFN2O — CID 71938113

IUPACN-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H16ClFN2O/c1-2-7-19-8-5-11(6-9-19)15(20)18-12-3-4-14(17)13(16)10-12/h1,3-4,10-11H,5-9H2,(H,18,20)
InChIKeyJQLXVJLUWKKDPJ-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.76
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 71938113) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID71938113
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H16ClFN2O/c1-2-7-19-8-5-11(6-9-19)15(20)18-12-3-4-14(17)13(16)10-12/h1,3-4,10-11H,5-9H2,(H,18,20)
InChIKeyJQLXVJLUWKKDPJ-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 111148135
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124504771
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976184
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 100684708
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide (CID 71938113) is N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is JQLXVJLUWKKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-7-19-8-5-11(6-9-19)15(20)18-12-3-4-14(17)13(16)10-12/h1,3-4,10-11H,5-9H2,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 71938113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).