1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid

C15H27N3O3 — CID 63234842

IUPAC1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-16-9-6-12(7-10-16)11-17(2)15(21)18-8-4-3-5-13(18)14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyCMPBOMAAJMITOS-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds3

About 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid

1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid (PubChem CID 63234842) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
PubChem CID63234842
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-16-9-6-12(7-10-16)11-17(2)15(21)18-8-4-3-5-13(18)14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyCMPBOMAAJMITOS-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid
CID 55000610
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid
CID 114950755
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63657175
(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034572

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid (CID 63234842) is 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid is CN1CCC(CN(C)C(=O)N2CCCCC2C(=O)O)CC1.
What is the InChIKey of 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is CMPBOMAAJMITOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16-9-6-12(7-10-16)11-17(2)15(21)18-8-4-3-5-13(18)14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid?
1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 63234842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).