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

C22H25ClN2O3 — CID 55853684

IUPACN-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O3/c23-19-8-6-17(7-9-19)16-24-22(27)18-10-13-25(14-11-18)21(26)12-15-28-20-4-2-1-3-5-20/h1-9,18H,10-16H2,(H,24,27)
InChIKeyFYGPMOZNECSSQF-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.66
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55853684) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55853684
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O3/c23-19-8-6-17(7-9-19)16-24-22(27)18-10-13-25(14-11-18)21(26)12-15-28-20-4-2-1-3-5-20/h1-9,18H,10-16H2,(H,24,27)
InChIKeyFYGPMOZNECSSQF-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60621219
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839
1-[4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55909848
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 55860208
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55853684) is N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is FYGPMOZNECSSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c23-19-8-6-17(7-9-19)16-24-22(27)18-10-13-25(14-11-18)21(26)12-15-28-20-4-2-1-3-5-20/h1-9,18H,10-16H2,(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55853684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).