1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one

C28H34N4O — CID 67384717

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one
SMILESCN(C)C1CCN(C(=O)C(Cc2ccccc2)NCc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C28H34N4O/c1-31(2)25-15-18-32(19-16-25)28(33)27(20-22-8-4-3-5-9-22)30-21-23-11-13-24(14-12-23)26-10-6-7-17-29-26/h3-14,17,25,27,30H,15-16,18-21H2,1-2H3
InChIKeyVIAKQIMOMCQYOJ-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.00
Rot. Bonds8

About 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one

1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one (PubChem CID 67384717) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one
PubChem CID67384717
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one
SMILESCN(C)C1CCN(C(=O)C(Cc2ccccc2)NCc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C28H34N4O/c1-31(2)25-15-18-32(19-16-25)28(33)27(20-22-8-4-3-5-9-22)30-21-23-11-13-24(14-12-23)26-10-6-7-17-29-26/h3-14,17,25,27,30H,15-16,18-21H2,1-2H3
InChIKeyVIAKQIMOMCQYOJ-UHFFFAOYSA-N
XLogP4.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one with MolForge

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Related Compounds

(2S)-2-(benzylamino)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-1-one
CID 67385330
N-[(2S)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 67366511
(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 770236
(2S)-1-(4-benzylpiperazin-1-yl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-phenylpropan-1-one
CID 59808312
(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
(3S)-3-benzyl-4-(4-benzylpiperazin-1-yl)-2-[(4-methylphenyl)methylidene]-4-oxo-N-[(4-pyridin-2-ylphenyl)methyl]butanamide
CID 140571462
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 51102650
(2S)-3-phenyl-2-[(3-pyridin-2-ylphenyl)methylamino]propanamide;2,2,2-trifluoroacetic acid
CID 53360237
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
N-[1-[[1-[[3-[4-(dimethylamino)piperidin-1-yl]-2,3-dioxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 77473213
tert-butyl N-[1-oxo-3-phenyl-1-[4-(pyridin-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate
CID 55970167
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107026032

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one (CID 67384717) is 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one is CN(C)C1CCN(C(=O)C(Cc2ccccc2)NCc2ccc(-c3ccccn3)cc2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one?
The InChIKey is VIAKQIMOMCQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-31(2)25-15-18-32(19-16-25)28(33)27(20-22-8-4-3-5-9-22)30-21-23-11-13-24(14-12-23)26-10-6-7-17-29-26/h3-14,17,25,27,30H,15-16,18-21H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one?
1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one has a molecular weight of 442.61 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-3-phenyl-2-[(4-pyridin-2-ylphenyl)methylamino]propan-1-one is sourced from PubChem (CID 67384717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).