1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one

C14H26N2O — CID 62210226

IUPAC1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
SMILESCCC1CCCN1C(=O)CCC1CCNCC1
InChIInChI=1S/C14H26N2O/c1-2-13-4-3-11-16(13)14(17)6-5-12-7-9-15-10-8-12/h12-13,15H,2-11H2,1H3
InChIKeySUPOGIXZSNQREL-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds4

About 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one

1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 62210226) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID62210226
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
SMILESCCC1CCCN1C(=O)CCC1CCNCC1
InChIInChI=1S/C14H26N2O/c1-2-13-4-3-11-16(13)14(17)6-5-12-7-9-15-10-8-12/h12-13,15H,2-11H2,1H3
InChIKeySUPOGIXZSNQREL-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 60974700
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 55049095
1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
CID 112701871
1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124689756
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 107068807
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124696237
1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
CID 64564068
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one (CID 62210226) is 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one is CCC1CCCN1C(=O)CCC1CCNCC1.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is SUPOGIXZSNQREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-13-4-3-11-16(13)14(17)6-5-12-7-9-15-10-8-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one?
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 62210226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).