1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid

C13H23N3O3 — CID 60855267

IUPAC1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN1CCC(CNC(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C13H23N3O3/c1-15-6-4-10(8-15)7-14-13(19)16-5-2-3-11(9-16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyUVULPJWEBVGTCZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.44
Rot. Bonds3

About 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 60855267) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID60855267
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN1CCC(CNC(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C13H23N3O3/c1-15-6-4-10(8-15)7-14-13(19)16-5-2-3-11(9-16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyUVULPJWEBVGTCZ-UHFFFAOYSA-N
XLogP0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 110837419
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032278
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63720407

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 60855267) is 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid is CN1CCC(CNC(=O)N2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is UVULPJWEBVGTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15-6-4-10(8-15)7-14-13(19)16-5-2-3-11(9-16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60855267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).