4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid

C13H24N2O3 — CID 61162075

IUPAC4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C1CCCNC1
InChIInChI=1S/C13H24N2O3/c1-10(2)15(8-4-6-12(16)17)13(18)11-5-3-7-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyIDOJRYKCOFTXDW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid

4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid (PubChem CID 61162075) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid
PubChem CID61162075
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C1CCCNC1
InChIInChI=1S/C13H24N2O3/c1-10(2)15(8-4-6-12(16)17)13(18)11-5-3-7-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyIDOJRYKCOFTXDW-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 81123881
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369
3-[cyclopropyl-[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141368
N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride
CID 119306124
4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 83193312
5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
CID 82846519
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140319
(3R)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140494
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307

Frequently Asked Questions

What is the IUPAC name of 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid (CID 61162075) is 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)C1CCCNC1.
What is the InChIKey of 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid?
The InChIKey is IDOJRYKCOFTXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)15(8-4-6-12(16)17)13(18)11-5-3-7-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid?
4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 61162075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).