6-methyl-5-propylpiperidin-2-one

C9H17NO — CID 176903708

IUPAC6-methyl-5-propylpiperidin-2-one
SMILESCCCC1CCC(=O)NC1C
InChIInChI=1S/C9H17NO/c1-3-4-8-5-6-9(11)10-7(8)2/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyNFMIJYJPYHIQOF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds2

About 6-methyl-5-propylpiperidin-2-one

6-methyl-5-propylpiperidin-2-one (PubChem CID 176903708) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-methyl-5-propylpiperidin-2-one.

Molecular Properties

Compound Name6-methyl-5-propylpiperidin-2-one
PubChem CID176903708
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-methyl-5-propylpiperidin-2-one
SMILESCCCC1CCC(=O)NC1C
InChIInChI=1S/C9H17NO/c1-3-4-8-5-6-9(11)10-7(8)2/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyNFMIJYJPYHIQOF-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-propylazetidin-2-one
CID 18603540
(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
CID 58071883
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(5S,6S)-5-hydroxy-6-methylpiperidin-2-one
CID 86335302
3-cyclobutyl-4-propylcyclohexan-1-one
CID 165496459
4-methyl-5-propyloxan-2-one
CID 89207971
5-(2-methylpropyl)-4-propylpyrrolidin-2-one
CID 66107021
(5S)-5-methylpyrrolidin-2-one
CID 7458701
ethyl (2S,3R)-2-methyl-6-oxopiperidine-3-carboxylate
CID 125042037
N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine
CID 135704106
(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one
CID 131124388
(5S)-5-methylpyrrolidin-2-one;hydrochloride
CID 69463924

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propylpiperidin-2-one?
The IUPAC name of 6-methyl-5-propylpiperidin-2-one (CID 176903708) is 6-methyl-5-propylpiperidin-2-one.
What is the SMILES notation for 6-methyl-5-propylpiperidin-2-one?
The canonical SMILES for 6-methyl-5-propylpiperidin-2-one is CCCC1CCC(=O)NC1C.
What is the InChIKey of 6-methyl-5-propylpiperidin-2-one?
The InChIKey is NFMIJYJPYHIQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-8-5-6-9(11)10-7(8)2/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 6-methyl-5-propylpiperidin-2-one?
6-methyl-5-propylpiperidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propylpiperidin-2-one is sourced from PubChem (CID 176903708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).