(3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide

C26H30ClN3O3 — CID 66574037

IUPAC(3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C26H30ClN3O3/c1-28(22-11-13-23(14-12-22)30-16-3-2-6-24(30)31)26(33)20-5-4-15-29(18-20)25(32)17-19-7-9-21(27)10-8-19/h7-14,20H,2-6,15-18H2,1H3/t20-/m0/s1
InChIKeyBIMPMYHRAKTVAU-FQEVSTJZSA-N
MW468.00 g/mol
LogP4.30
Rot. Bonds5

About (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide

(3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 66574037) has the molecular formula C26H30ClN3O3 and a molecular weight of 468.00 g/mol. Its IUPAC name is (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID66574037
Molecular FormulaC26H30ClN3O3
Molecular Weight468.00 g/mol
Exact Mass467.20
IUPAC Name(3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C26H30ClN3O3/c1-28(22-11-13-23(14-12-22)30-16-3-2-6-24(30)31)26(33)20-5-4-15-29(18-20)25(32)17-19-7-9-21(27)10-8-19/h7-14,20H,2-6,15-18H2,1H3/t20-/m0/s1
InChIKeyBIMPMYHRAKTVAU-FQEVSTJZSA-N
XLogP4.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride
CID 119595857
3-[(3S)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidin-3-yl]propanoic acid
CID 124700484
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 100777740
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133159211
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100777734
N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 60586831
(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 11604288
N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]acetamide
CID 110674829
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396
N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
CID 55758241
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide (CID 66574037) is (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide is CN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is BIMPMYHRAKTVAU-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30ClN3O3/c1-28(22-11-13-23(14-12-22)30-16-3-2-6-24(30)31)26(33)20-5-4-15-29(18-20)25(32)17-19-7-9-21(27)10-8-19/h7-14,20H,2-6,15-18H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide?
(3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-chlorophenyl)acetyl]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 66574037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).