1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide

C19H28ClN3O2 — CID 45203519

IUPAC1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H28ClN3O2/c1-3-22(4-2)12-11-21-19(25)16-7-10-18(24)23(14-16)13-15-5-8-17(20)9-6-15/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H,21,25)
InChIKeyIJHFPILUUZHISC-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.54
Rot. Bonds8

About 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45203519) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID45203519
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H28ClN3O2/c1-3-22(4-2)12-11-21-19(25)16-7-10-18(24)23(14-16)13-15-5-8-17(20)9-6-15/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H,21,25)
InChIKeyIJHFPILUUZHISC-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(2-cyclopentylethyl)-6-oxopiperidine-3-carboxamide
CID 45199770
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45234331
(3R)-1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 25385822
1-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817174
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 24817182
(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 97148223
1-[(4-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxopiperidine-3-carboxamide
CID 45245142
(3R)-N-[2-(4-chlorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 95221049
1-[2-(4-chlorophenyl)ethyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 24817059
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate
CID 42394382

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide (CID 45203519) is 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide is CCN(CC)CCNC(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is IJHFPILUUZHISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-3-22(4-2)12-11-21-19(25)16-7-10-18(24)23(14-16)13-15-5-8-17(20)9-6-15/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H,21,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 365.91 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45203519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).