1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid

C15H26N2O3 — CID 62656849

IUPAC1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCCN(CC(=O)N1CCC(C(=O)O)CC1)CC1CC1
InChIInChI=1S/C15H26N2O3/c1-2-7-16(10-12-3-4-12)11-14(18)17-8-5-13(6-9-17)15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyZUBZSXYOXJLSBU-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.43
Rot. Bonds7

About 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 62656849) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID62656849
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCCN(CC(=O)N1CCC(C(=O)O)CC1)CC1CC1
InChIInChI=1S/C15H26N2O3/c1-2-7-16(10-12-3-4-12)11-14(18)17-8-5-13(6-9-17)15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyZUBZSXYOXJLSBU-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-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-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100766
2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 106640711
1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 62657828
1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 64522393
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone
CID 176968729
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 63285337
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236201
2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid (CID 62656849) is 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid is CCCN(CC(=O)N1CCC(C(=O)O)CC1)CC1CC1.
What is the InChIKey of 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ZUBZSXYOXJLSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-7-16(10-12-3-4-12)11-14(18)17-8-5-13(6-9-17)15(19)20/h12-13H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62656849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).