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

C13H24N2O3 — CID 63128810

IUPAC3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NC(C)CC(=O)O)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-3-4-13(5-7-14-8-6-13)12(18)15-10(2)9-11(16)17/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyPAIACOYFYXWFMB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.14
Rot. Bonds6

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

3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid (PubChem CID 63128810) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
PubChem CID63128810
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NC(C)CC(=O)O)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-3-4-13(5-7-14-8-6-13)12(18)15-10(2)9-11(16)17/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyPAIACOYFYXWFMB-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
CID 82846529
3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 81073203
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
CID 63128141
N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
CID 81385508
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129472
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid (CID 63128810) is 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid is CCCC1(C(=O)NC(C)CC(=O)O)CCNCC1.
What is the InChIKey of 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The InChIKey is PAIACOYFYXWFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-13(5-7-14-8-6-13)12(18)15-10(2)9-11(16)17/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 63128810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).