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

C14H19N3O2 — CID 51458679

IUPAC(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C14H19N3O2/c1-10-4-2-6-12(8-10)16-14(19)17-7-3-5-11(9-17)13(15)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H2,15,18)(H,16,19)/t11-/m1/s1
InChIKeyPUSSAGYROFRULS-LLVKDONJSA-N
MW261.32 g/mol
LogP1.72
Rot. Bonds2

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

(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 51458679) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID51458679
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C14H19N3O2/c1-10-4-2-6-12(8-10)16-14(19)17-7-3-5-11(9-17)13(15)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H2,15,18)(H,16,19)/t11-/m1/s1
InChIKeyPUSSAGYROFRULS-LLVKDONJSA-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

3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 119410579
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 49061663
N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
3-N-benzyl-3-N-cyclopropyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55820118

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 51458679) is (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)c1.
What is the InChIKey of (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is PUSSAGYROFRULS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-4-2-6-12(8-10)16-14(19)17-7-3-5-11(9-17)13(15)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H2,15,18)(H,16,19)/t11-/m1/s1.
What are the key properties of (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
(3R)-1-N-(3-methylphenyl)piperidine-1,3-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 (3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51458679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).