(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone

C15H22N2O3 — CID 82043489

IUPAC(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(N)CC2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-3-20-13-5-4-11(10-14(13)19-2)15(18)17-8-6-12(16)7-9-17/h4-5,10,12H,3,6-9,16H2,1-2H3
InChIKeyJWGIUQMJTSCDIU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.66
Rot. Bonds4

About (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone

(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone (PubChem CID 82043489) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
PubChem CID82043489
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(N)CC2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-3-20-13-5-4-11(10-14(13)19-2)15(18)17-8-6-12(16)7-9-17/h4-5,10,12H,3,6-9,16H2,1-2H3
InChIKeyJWGIUQMJTSCDIU-UHFFFAOYSA-N
XLogP1.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119376011
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone (CID 82043489) is (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCC(N)CC2)cc1OC.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone?
The InChIKey is JWGIUQMJTSCDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-13-5-4-11(10-14(13)19-2)15(18)17-8-6-12(16)7-9-17/h4-5,10,12H,3,6-9,16H2,1-2H3.
What are the key properties of (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone?
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 82043489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).