2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one

C25H35N3O — CID 156758983

IUPAC2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one
SMILESCCNCC(Cc1ccccc1)C(=O)N1CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C25H35N3O/c1-4-26-20-22(19-21-11-7-5-8-12-21)24(29)28-17-15-25(16-18-28,27(2)3)23-13-9-6-10-14-23/h5-14,22,26H,4,15-20H2,1-3H3
InChIKeyRXYMWQVMIXFEHY-UHFFFAOYSA-N
MW393.58 g/mol
LogP3.53
Rot. Bonds8

About 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one

2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one (PubChem CID 156758983) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one.

Molecular Properties

Compound Name2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one
PubChem CID156758983
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one
SMILESCCNCC(Cc1ccccc1)C(=O)N1CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C25H35N3O/c1-4-26-20-22(19-21-11-7-5-8-12-21)24(29)28-17-15-25(16-18-28,27(2)3)23-13-9-6-10-14-23/h5-14,22,26H,4,15-20H2,1-3H3
InChIKeyRXYMWQVMIXFEHY-UHFFFAOYSA-N
XLogP3.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(methylamino)propan-1-one;dihydrochloride
CID 166680108
(2R,3R)-3-amino-2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]butan-1-one;dihydrochloride
CID 156759016
(2S,3R)-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-2-(methylaminomethyl)-3-phenylbutan-1-one
CID 156758850
2-(aminomethyl)-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one;dihydrochloride
CID 166680112
1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(2-fluorophenyl)-2-(methylaminomethyl)butan-1-one
CID 166680141
benzyl N-[(2S,3R)-2-[4-(dimethylamino)-4-phenylpiperidine-1-carbonyl]-3-phenylbutyl]-N-methylcarbamate
CID 156758965
(2S,3R)-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(3-fluorophenyl)-2-(methylaminomethyl)butan-1-one
CID 156758872
1-[4-(dimethylamino)-4-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689549
1-(2-benzyl-3-methylbutanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168430
1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-2-(methylaminomethyl)-3-phenylbutan-1-one
CID 166680199
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689497

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one?
The IUPAC name of 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one (CID 156758983) is 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one.
What is the SMILES notation for 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one?
The canonical SMILES for 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one is CCNCC(Cc1ccccc1)C(=O)N1CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one?
The InChIKey is RXYMWQVMIXFEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-4-26-20-22(19-21-11-7-5-8-12-21)24(29)28-17-15-25(16-18-28,27(2)3)23-13-9-6-10-14-23/h5-14,22,26H,4,15-20H2,1-3H3.
What are the key properties of 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one?
2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one has a molecular weight of 393.58 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-(ethylamino)propan-1-one is sourced from PubChem (CID 156758983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).