N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane

C31H40N2O — CID 142899302

IUPACN,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane
SMILESCC.CN(C)C(=O)C(CCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2O.C2H6/c1-30(2)28(32)29(26-14-8-4-9-15-26,27-16-10-5-11-17-27)20-23-31-21-18-25(19-22-31)24-12-6-3-7-13-24;1-2/h3-17,25H,18-23H2,1-2H3;1-2H3
InChIKeyVCOBNQAKJTVPOO-UHFFFAOYSA-N
MW456.67 g/mol
LogP6.36
Rot. Bonds7

About N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane

N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane (PubChem CID 142899302) has the molecular formula C31H40N2O and a molecular weight of 456.67 g/mol. Its IUPAC name is N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane
PubChem CID142899302
Molecular FormulaC31H40N2O
Molecular Weight456.67 g/mol
Exact Mass456.31
IUPAC NameN,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane
SMILESCC.CN(C)C(=O)C(CCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2O.C2H6/c1-30(2)28(32)29(26-14-8-4-9-15-26,27-16-10-5-11-17-27)20-23-31-21-18-25(19-22-31)24-12-6-3-7-13-24;1-2/h3-17,25H,18-23H2,1-2H3;1-2H3
InChIKeyVCOBNQAKJTVPOO-UHFFFAOYSA-N
XLogP6.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
N,N-dimethyl-4-(2-methylpiperidin-1-yl)-2,2-diphenylbutanamide
CID 57291620
4-[4-hydroxy-4-[4-(iodomethyl)phenyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 89357629
CID 164916965
CID 164916965
N,N-dimethyl-2,2-diphenyl-4-[4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide;methane
CID 160557424
4-[4-[[2-(2,6-dichloroanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 139908106
5-[8-[4-(dimethylamino)-4-oxo-3,3-diphenylbutyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 10461152
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
4-[bis(2-chloroethyl)amino]-N,N-dimethyl-2,2-diphenylbutanamide
CID 11524308
N-[2-[3-(4-phenylpiperidin-1-yl)propyl-propylamino]ethyl]-2-tritylsulfanylacetamide
CID 70935238

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane?
The IUPAC name of N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane (CID 142899302) is N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane.
What is the SMILES notation for N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane?
The canonical SMILES for N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane is CC.CN(C)C(=O)C(CCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane?
The InChIKey is VCOBNQAKJTVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O.C2H6/c1-30(2)28(32)29(26-14-8-4-9-15-26,27-16-10-5-11-17-27)20-23-31-21-18-25(19-22-31)24-12-6-3-7-13-24;1-2/h3-17,25H,18-23H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane?
N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane has a molecular weight of 456.67 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane is sourced from PubChem (CID 142899302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).