2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one

C19H30N2O4 — CID 120984497

IUPAC2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCC(CCc2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C19H30N2O4/c1-23-13-18(20)19(22)21-8-6-14(7-9-21)4-5-15-10-16(24-2)12-17(11-15)25-3/h10-12,14,18H,4-9,13,20H2,1-3H3
InChIKeyUUDAZTYCYUTLLI-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.85
Rot. Bonds8

About 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one

2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 120984497) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID120984497
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCC(CCc2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C19H30N2O4/c1-23-13-18(20)19(22)21-8-6-14(7-9-21)4-5-15-10-16(24-2)12-17(11-15)25-3/h10-12,14,18H,4-9,13,20H2,1-3H3
InChIKeyUUDAZTYCYUTLLI-UHFFFAOYSA-N
XLogP1.85
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one 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

(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 154897114
2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 120987692
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 47017711
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125150871
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-methylsulfanyl-3-pyridinyl)methanone
CID 86885379
2-amino-3-methoxy-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 120991036
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119765846
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 107217182
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 18281050

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one (CID 120984497) is 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one is COCC(N)C(=O)N1CCC(CCc2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is UUDAZTYCYUTLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-23-13-18(20)19(22)21-8-6-14(7-9-21)4-5-15-10-16(24-2)12-17(11-15)25-3/h10-12,14,18H,4-9,13,20H2,1-3H3.
What are the key properties of 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one?
2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 350.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 120984497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).