1-[(3R)-1-methylpiperidin-3-yl]propan-1-one

C9H17NO — CID 96635007

IUPAC1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C9H17NO/c1-3-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZHIDTFVHNOTMMU-MRVPVSSYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds2

About 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one

1-[(3R)-1-methylpiperidin-3-yl]propan-1-one (PubChem CID 96635007) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
PubChem CID96635007
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C9H17NO/c1-3-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZHIDTFVHNOTMMU-MRVPVSSYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpiperidin-3-yl)-2-sulfanylethanone
CID 116829941
3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one
CID 116915795
2-(ethylamino)-1-(1-methylpiperidin-3-yl)ethanone
CID 116916675
2-(1-methylpiperidin-3-yl)-2-oxoethanesulfonyl chloride
CID 115043394
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide
CID 142206614
1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
CID 116918923
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
3-chloro-1-(1-methylpiperidin-3-yl)propane-1,2-dione
CID 116822710

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one?
The IUPAC name of 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one (CID 96635007) is 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one is CCC(=O)[C@@H]1CCCN(C)C1.
What is the InChIKey of 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one?
The InChIKey is ZHIDTFVHNOTMMU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one?
1-[(3R)-1-methylpiperidin-3-yl]propan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methylpiperidin-3-yl]propan-1-one is sourced from PubChem (CID 96635007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).