3-[(piperidine-4-carbonylamino)methyl]pentanoic acid

C12H22N2O3 — CID 81072442

IUPAC3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)C1CCNCC1)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-9(7-11(15)16)8-14-12(17)10-3-5-13-6-4-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyLVFPIHQEMJSDHZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.60
Rot. Bonds6

About 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid

3-[(piperidine-4-carbonylamino)methyl]pentanoic acid (PubChem CID 81072442) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
PubChem CID81072442
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)C1CCNCC1)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-9(7-11(15)16)8-14-12(17)10-3-5-13-6-4-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyLVFPIHQEMJSDHZ-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(piperidine-4-carbonylamino)methyl]pentanoic 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

N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
3-[(cyclohex-3-ene-1-carbonylamino)methyl]pentanoic acid
CID 81066101
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid
CID 81072441
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
CID 106892446
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
N-[2-(dimethylamino)-3-ethylpentyl]piperidine-4-carboxamide
CID 61275439
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
3-[[(2-aminocyclopentanecarbonyl)amino]methyl]pentanoic acid
CID 81073216
3-[(thiolane-2-carbonylamino)methyl]pentanoic acid
CID 81066125

Frequently Asked Questions

What is the IUPAC name of 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid (CID 81072442) is 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid is CCC(CNC(=O)C1CCNCC1)CC(=O)O.
What is the InChIKey of 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid?
The InChIKey is LVFPIHQEMJSDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-9(7-11(15)16)8-14-12(17)10-3-5-13-6-4-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid?
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(piperidine-4-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81072442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).