3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid

C16H30N2O3 — CID 81068168

IUPAC3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCC(CC)(CC)CC1)CC(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-13(11-14(19)20)12-17-15(21)18-9-7-16(5-2,6-3)8-10-18/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyDNRHUJKZNYZDSM-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds7

About 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid

3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81068168) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
PubChem CID81068168
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCC(CC)(CC)CC1)CC(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-13(11-14(19)20)12-17-15(21)18-9-7-16(5-2,6-3)8-10-18/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyDNRHUJKZNYZDSM-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]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

3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81069891
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81073349
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63162157
3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 102744912
(3S)-3-[[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 103357069
3-[(4,4-diethylazepane-1-carbonyl)amino]propanoic acid
CID 122018412
3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81067589
3-[[(2-methyl-1,4-oxazepane-4-carbonyl)amino]methyl]pentanoic acid
CID 81070041
3-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 81070191
3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
CID 81072300
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
CID 103159355

Frequently Asked Questions

What is the IUPAC name of 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid (CID 81068168) is 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)N1CCC(CC)(CC)CC1)CC(=O)O.
What is the InChIKey of 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is DNRHUJKZNYZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-13(11-14(19)20)12-17-15(21)18-9-7-16(5-2,6-3)8-10-18/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid?
3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81068168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).