3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one

C22H28N2O — CID 71324369

IUPAC3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one
SMILESCN(C)c1ccc(C(CC(=O)c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O/c1-23(2)20-13-11-18(12-14-20)21(24-15-7-4-8-16-24)17-22(25)19-9-5-3-6-10-19/h3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3
InChIKeyFSARLXUMDTWXPQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.55
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one

3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one (PubChem CID 71324369) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one
PubChem CID71324369
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one
SMILESCN(C)c1ccc(C(CC(=O)c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O/c1-23(2)20-13-11-18(12-14-20)21(24-15-7-4-8-16-24)17-22(25)19-9-5-3-6-10-19/h3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3
InChIKeyFSARLXUMDTWXPQ-UHFFFAOYSA-N
XLogP4.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
CID 51617866
N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
CID 54609342
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
N-[2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylethyl]-3-fluorobenzamide
CID 112506893
N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
CID 18583589
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
CID 7639481
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 7496319
1-phenyl-3-pyrrolidin-1-yl-3-sulfanylpropan-1-one
CID 175347189
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
CID 7496456
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
CID 7496289

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one (CID 71324369) is 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one is CN(C)c1ccc(C(CC(=O)c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is FSARLXUMDTWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-23(2)20-13-11-18(12-14-20)21(24-15-7-4-8-16-24)17-22(25)19-9-5-3-6-10-19/h3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one?
3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 336.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 71324369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).