(5S)-5-(2-methylpropyl)piperidin-2-one

C9H17NO — CID 172505692

IUPAC(5S)-5-(2-methylpropyl)piperidin-2-one
SMILESCC(C)C[C@@H]1CCC(=O)NC1
InChIInChI=1S/C9H17NO/c1-7(2)5-8-3-4-9(11)10-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyYKYITDFJHPZBDY-QMMMGPOBSA-N
MW155.24 g/mol
LogP1.56
Rot. Bonds2

About (5S)-5-(2-methylpropyl)piperidin-2-one

(5S)-5-(2-methylpropyl)piperidin-2-one (PubChem CID 172505692) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5S)-5-(2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-methylpropyl)piperidin-2-one
PubChem CID172505692
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5S)-5-(2-methylpropyl)piperidin-2-one
SMILESCC(C)C[C@@H]1CCC(=O)NC1
InChIInChI=1S/C9H17NO/c1-7(2)5-8-3-4-9(11)10-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyYKYITDFJHPZBDY-QMMMGPOBSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(aminomethyl)piperidin-2-one
CID 10749203
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079
5-methylpiperidin-2-one
CID 10877083
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
2-(6-oxopiperidin-3-yl)ethyl formate
CID 174762634
(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one
CID 59094008
5-(2,6-dimethylheptan-4-ylamino)piperidin-2-one
CID 55246442
3-(6-oxopiperidin-3-yl)propanoic acid
CID 42609247
(4S)-4-(2-methylpentyl)pyrrolidin-2-one
CID 54458204
5-aminopiperidin-2-one;hydrochloride
CID 47002940
(5S)-5-aminopiperidin-2-one;hydrochloride
CID 42614518
8-amino-1,4-diazonane-2,5-dione
CID 20847830

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylpropyl)piperidin-2-one?
The IUPAC name of (5S)-5-(2-methylpropyl)piperidin-2-one (CID 172505692) is (5S)-5-(2-methylpropyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-(2-methylpropyl)piperidin-2-one?
The canonical SMILES for (5S)-5-(2-methylpropyl)piperidin-2-one is CC(C)C[C@@H]1CCC(=O)NC1.
What is the InChIKey of (5S)-5-(2-methylpropyl)piperidin-2-one?
The InChIKey is YKYITDFJHPZBDY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-8-3-4-9(11)10-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m0/s1.
What are the key properties of (5S)-5-(2-methylpropyl)piperidin-2-one?
(5S)-5-(2-methylpropyl)piperidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 172505692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).