1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide

C17H25N3O2 — CID 3247582

IUPAC1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-6-8-14(9-7-13)11-18-16(21)15-5-4-10-20(12-15)17(22)19(2)3/h6-9,15H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyNSFHITRDLYNBIO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.00
Rot. Bonds3

About 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 3247582) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID3247582
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-6-8-14(9-7-13)11-18-16(21)15-5-4-10-20(12-15)17(22)19(2)3/h6-9,15H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyNSFHITRDLYNBIO-UHFFFAOYSA-N
XLogP2.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Phenyl-1,3-diazinane-2,4-dione
CID 239233
1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 748213
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-[(1S)-3-[4-[benzylcarbamoyl(ethyl)amino]-1-piperidyl]-1-phenyl-butyl]cyclobutanecarboxamide
CID 44590750
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-cyclopropyl-N-(3-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794298
N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide
CID 604036

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide (CID 3247582) is 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide is Cc1ccc(CNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is NSFHITRDLYNBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-6-8-14(9-7-13)11-18-16(21)15-5-4-10-20(12-15)17(22)19(2)3/h6-9,15H,4-5,10-12H2,1-3H3,(H,18,21).
What are the key properties of 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 3247582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).