[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C17H26N2O4 — CID 119435295

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCCC2C(C)N)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-11(18)13-7-5-6-8-19(13)17(20)12-9-14(21-2)16(23-4)15(10-12)22-3/h9-11,13H,5-8,18H2,1-4H3
InChIKeySXMPRNCCPFBMOL-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.05
Rot. Bonds5

About [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 119435295) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID119435295
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCCC2C(C)N)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-11(18)13-7-5-6-8-19(13)17(20)12-9-14(21-2)16(23-4)15(10-12)22-3/h9-11,13H,5-8,18H2,1-4H3
InChIKeySXMPRNCCPFBMOL-UHFFFAOYSA-N
XLogP2.05
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)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

[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 124685615
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 119435293
[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119435560
[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119437301
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
ethyl 2-oxo-2-[(2S)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-2-yl]acetate
CID 15021098
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 103805470
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 119435917

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 119435295) is [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCCCC2C(C)N)cc(OC)c1OC.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SXMPRNCCPFBMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(18)13-7-5-6-8-19(13)17(20)12-9-14(21-2)16(23-4)15(10-12)22-3/h9-11,13H,5-8,18H2,1-4H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 119435295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).