N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C24H29ClN2O3 — CID 60553019

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C24H29ClN2O3/c1-2-26(17-19-9-6-7-13-22(19)25)24(29)20-10-8-15-27(18-20)23(28)14-16-30-21-11-4-3-5-12-21/h3-7,9,11-13,20H,2,8,10,14-18H2,1H3
InChIKeyFOPDGDNNPGESJW-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.40
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 60553019) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID60553019
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C24H29ClN2O3/c1-2-26(17-19-9-6-7-13-22(19)25)24(29)20-10-8-15-27(18-20)23(28)14-16-30-21-11-4-3-5-12-21/h3-7,9,11-13,20H,2,8,10,14-18H2,1H3
InChIKeyFOPDGDNNPGESJW-UHFFFAOYSA-N
XLogP4.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967191
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55966797
N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119443941
N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 55982263
(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 95141758
(3S)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 95141759
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324
1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167136

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 60553019) is N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CCN(Cc1ccccc1Cl)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is FOPDGDNNPGESJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-2-26(17-19-9-6-7-13-22(19)25)24(29)20-10-8-15-27(18-20)23(28)14-16-30-21-11-4-3-5-12-21/h3-7,9,11-13,20H,2,8,10,14-18H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 60553019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).