[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

C21H24N2O3 — CID 119276704

IUPAC[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(CN)cc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-19-8-6-16(7-9-19)20(24)17-10-12-23(13-11-17)21(25)18-4-2-15(14-22)3-5-18/h2-9,17H,10-14,22H2,1H3
InChIKeyLUCPAADELPWGNX-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.89
Rot. Bonds5

About [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 119276704) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID119276704
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(CN)cc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-19-8-6-16(7-9-19)20(24)17-10-12-23(13-11-17)21(25)18-4-2-15(14-22)3-5-18/h2-9,17H,10-14,22H2,1H3
InChIKeyLUCPAADELPWGNX-UHFFFAOYSA-N
XLogP2.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)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

[1-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 23587230
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone
CID 25475118
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475322
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 119276704) is [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(CN)cc3)CC2)cc1.
What is the InChIKey of [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is LUCPAADELPWGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-8-6-16(7-9-19)20(24)17-10-12-23(13-11-17)21(25)18-4-2-15(14-22)3-5-18/h2-9,17H,10-14,22H2,1H3.
What are the key properties of [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 352.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 119276704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).