(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide

C16H23N3O2 — CID 94161128

IUPAC(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-12-6-8-14(9-7-12)17-15(20)13-5-4-10-19(11-13)16(21)18(2)3/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyLTDRGJMWKMVAHP-ZDUSSCGKSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds2

About (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide

(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 94161128) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID94161128
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-12-6-8-14(9-7-12)17-15(20)13-5-4-10-19(11-13)16(21)18(2)3/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyLTDRGJMWKMVAHP-ZDUSSCGKSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide (CID 94161128) is (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1.
What is the InChIKey of (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is LTDRGJMWKMVAHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-8-14(9-7-12)17-15(20)13-5-4-10-19(11-13)16(21)18(2)3/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide?
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 94161128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).