[(3S)-2-oxopiperidin-3-yl]azanium

C5H11N2O+ — CID 7200368

IUPAC[(3S)-2-oxopiperidin-3-yl]azanium
SMILES[NH3+][C@H]1CCCNC1=O
InChIInChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)/p+1/t4-/m0/s1
InChIKeyYCCMTCQQDULIFE-BYPYZUCNSA-O
MW115.16 g/mol
LogP-1.49
Rot. Bonds

About [(3S)-2-oxopiperidin-3-yl]azanium

[(3S)-2-oxopiperidin-3-yl]azanium (PubChem CID 7200368) has the molecular formula C5H11N2O+ and a molecular weight of 115.16 g/mol. Its IUPAC name is [(3S)-2-oxopiperidin-3-yl]azanium.

Molecular Properties

Compound Name[(3S)-2-oxopiperidin-3-yl]azanium
PubChem CID7200368
Molecular FormulaC5H11N2O+
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name[(3S)-2-oxopiperidin-3-yl]azanium
SMILES[NH3+][C@H]1CCCNC1=O
InChIInChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)/p+1/t4-/m0/s1
InChIKeyYCCMTCQQDULIFE-BYPYZUCNSA-O
XLogP-1.49
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-oxopyrrolidin-3-yl)azanium
CID 21337749
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
3-trimethylsilylpiperidin-2-one
CID 46210483
1,2,3,4,4a,5,6,7,8,9a-decahydropyrido[2,3-c]azepin-9-one
CID 165457744
(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one
CID 101490827
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624
(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
3-methylazepan-2-one
CID 581216
N-(2-oxopiperidin-3-yl)formamide
CID 64992680
3-(azocan-1-yl)piperidin-2-one
CID 90761480

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxopiperidin-3-yl]azanium?
The IUPAC name of [(3S)-2-oxopiperidin-3-yl]azanium (CID 7200368) is [(3S)-2-oxopiperidin-3-yl]azanium.
What is the SMILES notation for [(3S)-2-oxopiperidin-3-yl]azanium?
The canonical SMILES for [(3S)-2-oxopiperidin-3-yl]azanium is [NH3+][C@H]1CCCNC1=O.
What is the InChIKey of [(3S)-2-oxopiperidin-3-yl]azanium?
The InChIKey is YCCMTCQQDULIFE-BYPYZUCNSA-O. The full InChI is InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)/p+1/t4-/m0/s1.
What are the key properties of [(3S)-2-oxopiperidin-3-yl]azanium?
[(3S)-2-oxopiperidin-3-yl]azanium has a molecular weight of 115.16 g/mol, XLogP of -1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxopiperidin-3-yl]azanium is sourced from PubChem (CID 7200368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).