N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C20H31N3O2 — CID 78845973

IUPACN-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NC(CN(C)C)c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)20(25)23-12-10-17(11-13-23)19(24)21-18(14-22(3)4)16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3,(H,21,24)
InChIKeyUDDLVZMEUMUSTL-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 78845973) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID78845973
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NC(CN(C)C)c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)20(25)23-12-10-17(11-13-23)19(24)21-18(14-22(3)4)16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3,(H,21,24)
InChIKeyUDDLVZMEUMUSTL-UHFFFAOYSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55683199
1-(2,2-diphenylacetyl)-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 74824215
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134002034
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
1-(2-methylpropanoyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 33105504
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-2-(dimethylamino)-1-phenylethyl]piperidine-4-carboxamide
CID 30261332
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
4-N-[cyclopropyl(phenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 47028583
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 78845973) is N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NC(CN(C)C)c2ccccc2)CC1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is UDDLVZMEUMUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)20(25)23-12-10-17(11-13-23)19(24)21-18(14-22(3)4)16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 78845973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).