(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

C17H26N2O3 — CID 119560243

IUPAC(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(NC)CC2)cc1OCC
InChIInChI=1S/C17H26N2O3/c1-4-21-15-7-6-13(12-16(15)22-5-2)17(20)19-10-8-14(18-3)9-11-19/h6-7,12,14,18H,4-5,8-11H2,1-3H3
InChIKeySFYOTTWBNUCQSW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.31
Rot. Bonds6

About (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119560243) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119560243
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(NC)CC2)cc1OCC
InChIInChI=1S/C17H26N2O3/c1-4-21-15-7-6-13(12-16(15)22-5-2)17(20)19-10-8-14(18-3)9-11-19/h6-7,12,14,18H,4-5,8-11H2,1-3H3
InChIKeySFYOTTWBNUCQSW-UHFFFAOYSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491736
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119560243) is (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(NC)CC2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is SFYOTTWBNUCQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-21-15-7-6-13(12-16(15)22-5-2)17(20)19-10-8-14(18-3)9-11-19/h6-7,12,14,18H,4-5,8-11H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).