3-(piperidine-4-carbonylamino)butanoic acid

C10H18N2O3 — CID 61161192

IUPAC3-(piperidine-4-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCNCC1
InChIInChI=1S/C10H18N2O3/c1-7(6-9(13)14)12-10(15)8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyDPIOLXMFKRLVAM-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.03
Rot. Bonds4

About 3-(piperidine-4-carbonylamino)butanoic acid

3-(piperidine-4-carbonylamino)butanoic acid (PubChem CID 61161192) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(piperidine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(piperidine-4-carbonylamino)butanoic acid
PubChem CID61161192
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(piperidine-4-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCNCC1
InChIInChI=1S/C10H18N2O3/c1-7(6-9(13)14)12-10(15)8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyDPIOLXMFKRLVAM-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 115734464
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63842489
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 119221469
N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
CID 119453661
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-4-carbonylamino)butanoic acid?
The IUPAC name of 3-(piperidine-4-carbonylamino)butanoic acid (CID 61161192) is 3-(piperidine-4-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(piperidine-4-carbonylamino)butanoic acid?
The canonical SMILES for 3-(piperidine-4-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)C1CCNCC1.
What is the InChIKey of 3-(piperidine-4-carbonylamino)butanoic acid?
The InChIKey is DPIOLXMFKRLVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(6-9(13)14)12-10(15)8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-(piperidine-4-carbonylamino)butanoic acid?
3-(piperidine-4-carbonylamino)butanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 61161192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).