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

C14H19N3O2 — CID 16645831

IUPAC1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H19N3O2/c1-10-3-2-4-12(9-10)16-14(19)17-7-5-11(6-8-17)13(15)18/h2-4,9,11H,5-8H2,1H3,(H2,15,18)(H,16,19)
InChIKeyJDSHOZXXTIURQH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.72
Rot. Bonds2

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

1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 16645831) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
PubChem CID16645831
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H19N3O2/c1-10-3-2-4-12(9-10)16-14(19)17-7-5-11(6-8-17)13(15)18/h2-4,9,11H,5-8H2,1H3,(H2,15,18)(H,16,19)
InChIKeyJDSHOZXXTIURQH-UHFFFAOYSA-N
XLogP1.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide
CID 61347794
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
4-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 86951405
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide (CID 16645831) is 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide is Cc1cccc(NC(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is JDSHOZXXTIURQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-3-2-4-12(9-10)16-14(19)17-7-5-11(6-8-17)13(15)18/h2-4,9,11H,5-8H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 16645831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).