(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone

C17H24N2O — CID 110619094

IUPAC(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCCC1CCCN1C(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-2-15-6-5-13-19(15)17(20)14-7-9-16(10-8-14)18-11-3-4-12-18/h7-10,15H,2-6,11-13H2,1H3
InChIKeyHTSSPKIROIENCK-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.30
Rot. Bonds3

About (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone

(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 110619094) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID110619094
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCCC1CCCN1C(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-2-15-6-5-13-19(15)17(20)14-7-9-16(10-8-14)18-11-3-4-12-18/h7-10,15H,2-6,11-13H2,1H3
InChIKeyHTSSPKIROIENCK-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpiperidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111331478
(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 71984061
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110619098
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone (CID 110619094) is (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone is CCC1CCCN1C(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is HTSSPKIROIENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-15-6-5-13-19(15)17(20)14-7-9-16(10-8-14)18-11-3-4-12-18/h7-10,15H,2-6,11-13H2,1H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone?
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 272.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 110619094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).