(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid

C14H18N2O3 — CID 69063228

IUPAC(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N[C@H]2CNC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-9-2-4-10(5-3-9)13(17)16-12-6-11(14(18)19)7-15-8-12/h2-5,11-12,15H,6-8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyJDXJSSZZXAUYNS-NWDGAFQWSA-N
MW262.31 g/mol
LogP0.79
Rot. Bonds3

About (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid

(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid (PubChem CID 69063228) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid
PubChem CID69063228
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N[C@H]2CNC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-9-2-4-10(5-3-9)13(17)16-12-6-11(14(18)19)7-15-8-12/h2-5,11-12,15H,6-8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyJDXJSSZZXAUYNS-NWDGAFQWSA-N
XLogP0.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid
CID 141160918
2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
CID 67392326
N-cyclobutyl-4-methylbenzamide
CID 23530676
cis-(1S,3R)-3-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675801
N-cyclooctyl-4-methylbenzamide
CID 3995245
5-hydroxypiperidine-3-carboxylic acid;toluene
CID 174657604
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid (CID 69063228) is (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid is Cc1ccc(C(=O)N[C@H]2CNC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid?
The InChIKey is JDXJSSZZXAUYNS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-2-4-10(5-3-9)13(17)16-12-6-11(14(18)19)7-15-8-12/h2-5,11-12,15H,6-8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1.
What are the key properties of (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid?
(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid is sourced from PubChem (CID 69063228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).