(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide

C21H30N4O3 — CID 51956223

IUPAC(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C21H30N4O3/c1-23(2)21(28)25-13-5-6-17(15-25)20(27)22-18-9-7-16(8-10-18)14-19(26)24-11-3-4-12-24/h7-10,17H,3-6,11-15H2,1-2H3,(H,22,27)/t17-/m0/s1
InChIKeyLHSJGKQCXHZSPR-KRWDZBQOSA-N
MW386.50 g/mol
LogP2.18
Rot. Bonds4

About (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide

(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 51956223) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID51956223
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C21H30N4O3/c1-23(2)21(28)25-13-5-6-17(15-25)20(27)22-18-9-7-16(8-10-18)14-19(26)24-11-3-4-12-24/h7-10,17H,3-6,11-15H2,1-2H3,(H,22,27)/t17-/m0/s1
InChIKeyLHSJGKQCXHZSPR-KRWDZBQOSA-N
XLogP2.18
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 86898399
N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide
CID 58145025
methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781812
1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 131914801

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide (CID 51956223) is (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)C1.
What is the InChIKey of (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is LHSJGKQCXHZSPR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-23(2)21(28)25-13-5-6-17(15-25)20(27)22-18-9-7-16(8-10-18)14-19(26)24-11-3-4-12-24/h7-10,17H,3-6,11-15H2,1-2H3,(H,22,27)/t17-/m0/s1.
What are the key properties of (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide?
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51956223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).