1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one

C15H28N2O — CID 95111821

IUPAC1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@@H]1CCN1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-15(18)17-12-7-4-8-14(17)9-13-16-10-5-3-6-11-16/h14H,2-13H2,1H3/t14-/m1/s1
InChIKeyRPRXPKWNJMDCON-CQSZACIVSA-N
MW252.40 g/mol
LogP2.65
Rot. Bonds4

About 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one

1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one (PubChem CID 95111821) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
PubChem CID95111821
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@@H]1CCN1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-15(18)17-12-7-4-8-14(17)9-13-16-10-5-3-6-11-16/h14H,2-13H2,1H3/t14-/m1/s1
InChIKeyRPRXPKWNJMDCON-CQSZACIVSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111813
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone
CID 82023476
1-(2-prop-2-enylazepan-1-yl)propan-1-one
CID 56945571
2-(4-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52984439
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propoxyphenyl)methanone
CID 17013777
1-[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 29339333
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
1-[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 17013771

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one (CID 95111821) is 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC[C@@H]1CCN1CCCCC1.
What is the InChIKey of 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is RPRXPKWNJMDCON-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-15(18)17-12-7-4-8-14(17)9-13-16-10-5-3-6-11-16/h14H,2-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one?
1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95111821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).