4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid

C15H27N3O3 — CID 63721852

IUPAC4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N(C)CC2CCN(C)CC2)CC1C(=O)O
InChIInChI=1S/C15H27N3O3/c1-11-8-18(10-13(11)14(19)20)15(21)17(3)9-12-4-6-16(2)7-5-12/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyUEJYEEKAUYFVQA-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.03
Rot. Bonds3

About 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63721852) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63721852
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N(C)CC2CCN(C)CC2)CC1C(=O)O
InChIInChI=1S/C15H27N3O3/c1-11-8-18(10-13(11)14(19)20)15(21)17(3)9-12-4-6-16(2)7-5-12/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyUEJYEEKAUYFVQA-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-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

(3S,4S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085926
1-[cyclohexylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721123
1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278576
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507
1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719728
(3S,4S)-4-methyl-1-[methyl(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085888
4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63720407
1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720389
(3S,4S)-4-methyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085867
(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945243
4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63719717
1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 63234842

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 63721852) is 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid is CC1CN(C(=O)N(C)CC2CCN(C)CC2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UEJYEEKAUYFVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-8-18(10-13(11)14(19)20)15(21)17(3)9-12-4-6-16(2)7-5-12/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).