1-(5-methylpiperidin-3-yl)propan-1-one

C9H17NO — CID 130940115

IUPAC1-(5-methylpiperidin-3-yl)propan-1-one
SMILESCCC(=O)C1CNCC(C)C1
InChIInChI=1S/C9H17NO/c1-3-9(11)8-4-7(2)5-10-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyCGXFWIKSBVFRFJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.21
Rot. Bonds2

About 1-(5-methylpiperidin-3-yl)propan-1-one

1-(5-methylpiperidin-3-yl)propan-1-one (PubChem CID 130940115) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(5-methylpiperidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methylpiperidin-3-yl)propan-1-one
PubChem CID130940115
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(5-methylpiperidin-3-yl)propan-1-one
SMILESCCC(=O)C1CNCC(C)C1
InChIInChI=1S/C9H17NO/c1-3-9(11)8-4-7(2)5-10-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyCGXFWIKSBVFRFJ-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
CID 178194792
(5R)-3-but-1-en-2-yl-5-methylpiperidine
CID 170450010
1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 25098131
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
1-(5-methylpiperidin-3-yl)prop-2-yn-1-one
CID 130942510
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
cyclopentyl-(5-methylpiperidin-3-yl)methanone
CID 130804308
1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
CID 147463396
N-[3-(diethylamino)propyl]-N-ethyl-5-methylpiperidine-3-carboxamide
CID 102993542
N-(5-methylpiperidin-3-yl)cyclopropanecarboxamide
CID 173311262
5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327649

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpiperidin-3-yl)propan-1-one?
The IUPAC name of 1-(5-methylpiperidin-3-yl)propan-1-one (CID 130940115) is 1-(5-methylpiperidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-methylpiperidin-3-yl)propan-1-one?
The canonical SMILES for 1-(5-methylpiperidin-3-yl)propan-1-one is CCC(=O)C1CNCC(C)C1.
What is the InChIKey of 1-(5-methylpiperidin-3-yl)propan-1-one?
The InChIKey is CGXFWIKSBVFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(11)8-4-7(2)5-10-6-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(5-methylpiperidin-3-yl)propan-1-one?
1-(5-methylpiperidin-3-yl)propan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpiperidin-3-yl)propan-1-one is sourced from PubChem (CID 130940115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).