1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid

C16H22N2O5 — CID 94778325

IUPAC1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)NCN2CCC(C(=O)O)CC2)cc1OC
InChIInChI=1S/C16H22N2O5/c1-22-13-4-3-12(9-14(13)23-2)15(19)17-10-18-7-5-11(6-8-18)16(20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyVXLRHMNZCUXAFP-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.19
Rot. Bonds6

About 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid

1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid (PubChem CID 94778325) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid
PubChem CID94778325
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)NCN2CCC(C(=O)O)CC2)cc1OC
InChIInChI=1S/C16H22N2O5/c1-22-13-4-3-12(9-14(13)23-2)15(19)17-10-18-7-5-11(6-8-18)16(20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyVXLRHMNZCUXAFP-UHFFFAOYSA-N
XLogP1.19
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 82163375
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid
CID 141160918
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid (CID 94778325) is 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid is COc1ccc(C(=O)NCN2CCC(C(=O)O)CC2)cc1OC.
What is the InChIKey of 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid?
The InChIKey is VXLRHMNZCUXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-22-13-4-3-12(9-14(13)23-2)15(19)17-10-18-7-5-11(6-8-18)16(20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid?
1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 94778325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).