N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide

C15H18ClFN2O2 — CID 25015844

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
SMILESCCN1C(=O)CCCC1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-2-19-13(4-3-5-14(19)20)15(21)18-9-10-6-7-11(17)8-12(10)16/h6-8,13H,2-5,9H2,1H3,(H,18,21)
InChIKeyQEPQMYBPNDMUCJ-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.50
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide (PubChem CID 25015844) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
PubChem CID25015844
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
SMILESCCN1C(=O)CCCC1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-2-19-13(4-3-5-14(19)20)15(21)18-9-10-6-7-11(17)8-12(10)16/h6-8,13H,2-5,9H2,1H3,(H,18,21)
InChIKeyQEPQMYBPNDMUCJ-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk-1482160
CID 23649427
Z944
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Uamc00039
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Gsk 1482160;gsk1482160
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CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
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(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide (CID 25015844) is N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide is CCN1C(=O)CCCC1C(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide?
The InChIKey is QEPQMYBPNDMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-2-19-13(4-3-5-14(19)20)15(21)18-9-10-6-7-11(17)8-12(10)16/h6-8,13H,2-5,9H2,1H3,(H,18,21).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide has a molecular weight of 312.77 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 25015844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).