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

C15H20N2O5 — CID 141160918

IUPAC(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N[C@H]2CNC[C@@H](C(=O)O)C2)cc1OC
InChIInChI=1S/C15H20N2O5/c1-21-12-4-3-9(6-13(12)22-2)14(18)17-11-5-10(15(19)20)7-16-8-11/h3-4,6,10-11,16H,5,7-8H2,1-2H3,(H,17,18)(H,19,20)/t10-,11+/m0/s1
InChIKeyPIJRANBIVNDWSE-WDEREUQCSA-N
MW308.33 g/mol
LogP0.50
Rot. Bonds5

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

(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid (PubChem CID 141160918) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid
PubChem CID141160918
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N[C@H]2CNC[C@@H](C(=O)O)C2)cc1OC
InChIInChI=1S/C15H20N2O5/c1-21-12-4-3-9(6-13(12)22-2)14(18)17-11-5-10(15(19)20)7-16-8-11/h3-4,6,10-11,16H,5,7-8H2,1-2H3,(H,17,18)(H,19,20)/t10-,11+/m0/s1
InChIKeyPIJRANBIVNDWSE-WDEREUQCSA-N
XLogP0.50
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid
CID 69063228
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150
cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 94778325
3,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326349
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid (CID 141160918) is (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid is COc1ccc(C(=O)N[C@H]2CNC[C@@H](C(=O)O)C2)cc1OC.
What is the InChIKey of (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid?
The InChIKey is PIJRANBIVNDWSE-WDEREUQCSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-21-12-4-3-9(6-13(12)22-2)14(18)17-11-5-10(15(19)20)7-16-8-11/h3-4,6,10-11,16H,5,7-8H2,1-2H3,(H,17,18)(H,19,20)/t10-,11+/m0/s1.
What are the key properties of (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid?
(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid is sourced from PubChem (CID 141160918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).