N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C22H24ClFN2O3 — CID 60621219

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C22H24ClFN2O3/c23-19-13-16(8-9-20(19)24)14-25-22(28)17-5-4-11-26(15-17)21(27)10-12-29-18-6-2-1-3-7-18/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,25,28)
InChIKeyBYXIMBSDXHUNBF-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.80
Rot. Bonds7

About N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 60621219) has the molecular formula C22H24ClFN2O3 and a molecular weight of 418.90 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID60621219
Molecular FormulaC22H24ClFN2O3
Molecular Weight418.90 g/mol
Exact Mass418.15
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C22H24ClFN2O3/c23-19-13-16(8-9-20(19)24)14-25-22(28)17-5-4-11-26(15-17)21(27)10-12-29-18-6-2-1-3-7-18/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,25,28)
InChIKeyBYXIMBSDXHUNBF-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 72924717
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55962463
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55973182
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55965390
1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167136
(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 129382420
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 60621219) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is BYXIMBSDXHUNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O3/c23-19-13-16(8-9-20(19)24)14-25-22(28)17-5-4-11-26(15-17)21(27)10-12-29-18-6-2-1-3-7-18/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,25,28).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 418.90 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 60621219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).