5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid

C12H22N2O3 — CID 82846519

IUPAC5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H22N2O3/c1-9(4-2-6-11(15)16)14-12(17)10-5-3-7-13-8-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)/t9?,10-/m0/s1
InChIKeyIMRFWXSCYAYJCP-AXDSSHIGSA-N
MW242.32 g/mol
LogP0.75
Rot. Bonds6

About 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid

5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid (PubChem CID 82846519) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
PubChem CID82846519
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H22N2O3/c1-9(4-2-6-11(15)16)14-12(17)10-5-3-7-13-8-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)/t9?,10-/m0/s1
InChIKeyIMRFWXSCYAYJCP-AXDSSHIGSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(3R)-N-[1-(dimethylamino)propan-2-yl]piperidine-3-carboxamide
CID 82945148
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid (CID 82846519) is 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)[C@H]1CCCNC1.
What is the InChIKey of 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid?
The InChIKey is IMRFWXSCYAYJCP-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(4-2-6-11(15)16)14-12(17)10-5-3-7-13-8-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)/t9?,10-/m0/s1.
What are the key properties of 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid?
5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 82846519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).