1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid

C15H27N3O3 — CID 115444749

IUPAC1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESNC1CCCN(C(=O)NCC2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C15H27N3O3/c16-12-6-5-9-18(10-12)14(21)17-11-15(13(19)20)7-3-1-2-4-8-15/h12H,1-11,16H2,(H,17,21)(H,19,20)
InChIKeyJZUDEZGAVHLEIV-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.54
Rot. Bonds3

About 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid

1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid (PubChem CID 115444749) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
PubChem CID115444749
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESNC1CCCN(C(=O)NCC2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C15H27N3O3/c16-12-6-5-9-18(10-12)14(21)17-11-15(13(19)20)7-3-1-2-4-8-15/h12H,1-11,16H2,(H,17,21)(H,19,20)
InChIKeyJZUDEZGAVHLEIV-UHFFFAOYSA-N
XLogP1.54
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-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-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451548
1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115560963
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451319
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
1-[[(3,4-dimethylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434335
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451731
4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 154865412
1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113335992

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid (CID 115444749) is 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid is NC1CCCN(C(=O)NCC2(C(=O)O)CCCCCC2)C1.
What is the InChIKey of 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The InChIKey is JZUDEZGAVHLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c16-12-6-5-9-18(10-12)14(21)17-11-15(13(19)20)7-3-1-2-4-8-15/h12H,1-11,16H2,(H,17,21)(H,19,20).
What are the key properties of 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115444749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).