(3R)-3-methyl-1-piperidin-1-ylpentan-1-one

C11H21NO — CID 174011715

IUPAC(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
SMILESCC[C@@H](C)CC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO/c1-3-10(2)9-11(13)12-7-5-4-6-8-12/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyPDLKTMAYZFRHIE-SNVBAGLBSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds3

About (3R)-3-methyl-1-piperidin-1-ylpentan-1-one

(3R)-3-methyl-1-piperidin-1-ylpentan-1-one (PubChem CID 174011715) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3R)-3-methyl-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
PubChem CID174011715
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
SMILESCC[C@@H](C)CC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO/c1-3-10(2)9-11(13)12-7-5-4-6-8-12/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyPDLKTMAYZFRHIE-SNVBAGLBSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 170295509
3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 178004280
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
CID 165388208
1-(azepan-1-yl)propan-1-one
CID 3613534
1-(3-methylpentanoyl)piperidine-3-carbonitrile
CID 114874755
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
CID 114874861
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-piperidin-1-ylpentan-1-one?
The IUPAC name of (3R)-3-methyl-1-piperidin-1-ylpentan-1-one (CID 174011715) is (3R)-3-methyl-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for (3R)-3-methyl-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for (3R)-3-methyl-1-piperidin-1-ylpentan-1-one is CC[C@@H](C)CC(=O)N1CCCCC1.
What is the InChIKey of (3R)-3-methyl-1-piperidin-1-ylpentan-1-one?
The InChIKey is PDLKTMAYZFRHIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)9-11(13)12-7-5-4-6-8-12/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-1-piperidin-1-ylpentan-1-one?
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 174011715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).