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

C18H26N2O2 — CID 119999509

IUPAC(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-22-16-7-5-15(6-8-16)18(21)20-12-9-14(10-13-20)17-4-3-11-19-17/h5-8,14,17,19H,2-4,9-13H2,1H3
InChIKeyQZBXXAVAJZUHIC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.69
Rot. Bonds4

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

(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 119999509) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID119999509
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-22-16-7-5-15(6-8-16)18(21)20-12-9-14(10-13-20)17-4-3-11-19-17/h5-8,14,17,19H,2-4,9-13H2,1H3
InChIKeyQZBXXAVAJZUHIC-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-diethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999371
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 119275571
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
(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-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 119999509) is (4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is CCOc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is QZBXXAVAJZUHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-22-16-7-5-15(6-8-16)18(21)20-12-9-14(10-13-20)17-4-3-11-19-17/h5-8,14,17,19H,2-4,9-13H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 119999509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).