1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one

C17H28N2O3 — CID 97121947

IUPAC1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCC[C@](CO)(CC2CC2)C1
InChIInChI=1S/C17H28N2O3/c20-13-17(10-14-5-6-14)7-3-9-19(12-17)16(22)11-18-8-2-1-4-15(18)21/h14,20H,1-13H2/t17-/m0/s1
InChIKeyXVHZWLYLYBGLSH-KRWDZBQOSA-N
MW308.42 g/mol
LogP1.40
Rot. Bonds5

About 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 97121947) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID97121947
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCC[C@](CO)(CC2CC2)C1
InChIInChI=1S/C17H28N2O3/c20-13-17(10-14-5-6-14)7-3-9-19(12-17)16(22)11-18-8-2-1-4-15(18)21/h14,20H,1-13H2/t17-/m0/s1
InChIKeyXVHZWLYLYBGLSH-KRWDZBQOSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
CID 115874722
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
2-(1,3-benzodioxol-5-yl)-1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 72847038
[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 97139381
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
4-hydroxy-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251297
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 115875098
(5R)-7-cyclopentyl-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117547
1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72869531
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
2-[3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131918527
1-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one
CID 118770220

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 97121947) is 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one is O=C1CCCCN1CC(=O)N1CCC[C@](CO)(CC2CC2)C1.
What is the InChIKey of 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is XVHZWLYLYBGLSH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-13-17(10-14-5-6-14)7-3-9-19(12-17)16(22)11-18-8-2-1-4-15(18)21/h14,20H,1-13H2/t17-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 308.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 97121947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).