2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one

C21H26N2O2 — CID 120587581

IUPAC2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
SMILESCC(N)(C(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(22,18-10-6-3-7-11-18)20(24)23-14-12-19(13-15-23)25-16-17-8-4-2-5-9-17/h2-11,19H,12-16,22H2,1H3
InChIKeyDVLQCAMYRVWGOT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.07
Rot. Bonds5

About 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one

2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one (PubChem CID 120587581) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
PubChem CID120587581
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
SMILESCC(N)(C(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(22,18-10-6-3-7-11-18)20(24)23-14-12-19(13-15-23)25-16-17-8-4-2-5-9-17/h2-11,19H,12-16,22H2,1H3
InChIKeyDVLQCAMYRVWGOT-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-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

2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 82015374
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 120595489
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one (CID 120587581) is 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one is CC(N)(C(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one?
The InChIKey is DVLQCAMYRVWGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(22,18-10-6-3-7-11-18)20(24)23-14-12-19(13-15-23)25-16-17-8-4-2-5-9-17/h2-11,19H,12-16,22H2,1H3.
What are the key properties of 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one?
2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 120587581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).