4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid

C13H24N2O3 — CID 63132002

IUPAC4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NCCCC(=O)O)CCCNC1
InChIInChI=1S/C13H24N2O3/c1-2-6-13(7-4-8-14-10-13)12(18)15-9-3-5-11(16)17/h14H,2-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyIVLNFHVDLOSFKK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.14
Rot. Bonds7

About 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid

4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 63132002) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID63132002
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NCCCC(=O)O)CCCNC1
InChIInChI=1S/C13H24N2O3/c1-2-6-13(7-4-8-14-10-13)12(18)15-9-3-5-11(16)17/h14H,2-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyIVLNFHVDLOSFKK-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63138470
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
N-[2-(cyclopenten-1-yl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 114154033

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid (CID 63132002) is 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid is CCCC1(C(=O)NCCCC(=O)O)CCCNC1.
What is the InChIKey of 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is IVLNFHVDLOSFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-6-13(7-4-8-14-10-13)12(18)15-9-3-5-11(16)17/h14H,2-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 63132002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).