(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one

C10H19NO2 — CID 165388208

IUPAC(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
SMILESCO[C@H](C)CC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-9(13-2)8-10(12)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVHAAGRWNFTUCDO-SECBINFHSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

About (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one

(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one (PubChem CID 165388208) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
PubChem CID165388208
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
SMILESCO[C@H](C)CC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-9(13-2)8-10(12)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVHAAGRWNFTUCDO-SECBINFHSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
(3S)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-methoxybutan-1-one
CID 95607253
(3S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-3-methoxybutan-1-one
CID 95607251
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 69026348
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one
CID 120594917
(2R)-2-[2-(azocan-1-yl)-2-oxoethyl]-4-methylpentanoic acid
CID 54139015
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 170295509

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one (CID 165388208) is (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one is CO[C@H](C)CC(=O)N1CCCCC1.
What is the InChIKey of (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one?
The InChIKey is VHAAGRWNFTUCDO-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(13-2)8-10(12)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one?
(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 165388208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).