(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C18H26N2O — CID 63259247

IUPAC(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-2-14-5-7-16(8-6-14)18(21)20-12-9-15(10-13-20)17-4-3-11-19-17/h5-8,15,17,19H,2-4,9-13H2,1H3
InChIKeyYJPMMDKDARAKGS-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.85
Rot. Bonds3

About (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63259247) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63259247
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-2-14-5-7-16(8-6-14)18(21)20-12-9-15(10-13-20)17-4-3-11-19-17/h5-8,15,17,19H,2-4,9-13H2,1H3
InChIKeyYJPMMDKDARAKGS-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999509
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-ethylphenyl)methanone
CID 74881662
(3,4-diethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999371
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(3-fluoro-4-methoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999600
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63259247) is (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is CCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is YJPMMDKDARAKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-14-5-7-16(8-6-14)18(21)20-12-9-15(10-13-20)17-4-3-11-19-17/h5-8,15,17,19H,2-4,9-13H2,1H3.
What are the key properties of (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63259247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).