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

C14H26N2O3 — CID 81073203

IUPAC3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NCC(C)CC(=O)O)CCNCC1
InChIInChI=1S/C14H26N2O3/c1-3-4-14(5-7-15-8-6-14)13(19)16-10-11(2)9-12(17)18/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVEAFOMRARKLLAP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.38
Rot. Bonds7

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

3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid (PubChem CID 81073203) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
PubChem CID81073203
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NCC(C)CC(=O)O)CCNCC1
InChIInChI=1S/C14H26N2O3/c1-3-4-14(5-7-15-8-6-14)13(19)16-10-11(2)9-12(17)18/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVEAFOMRARKLLAP-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide
CID 63128641
5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
CID 82846529
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
N-(2-hydroxy-2-phenylethyl)-4-propylpiperidine-4-carboxamide
CID 63127671
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxamide
CID 63127591

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid (CID 81073203) is 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid is CCCC1(C(=O)NCC(C)CC(=O)O)CCNCC1.
What is the InChIKey of 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The InChIKey is VEAFOMRARKLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-4-14(5-7-15-8-6-14)13(19)16-10-11(2)9-12(17)18/h11,15H,3-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 81073203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).