N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide

C29H38Cl2N2O2 — CID 10152547

IUPACN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide
SMILESCC(NC(=O)CCC1CCN(C(=O)C(C)(C)C)CC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C29H38Cl2N2O2/c1-20(26(23-8-12-25(31)13-9-23)19-22-5-10-24(30)11-6-22)32-27(34)14-7-21-15-17-33(18-16-21)28(35)29(2,3)4/h5-6,8-13,20-21,26H,7,14-19H2,1-4H3,(H,32,34)
InChIKeyVDBMUGIMMFVGPM-UHFFFAOYSA-N
MW517.54 g/mol
LogP6.89
Rot. Bonds8

About N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide (PubChem CID 10152547) has the molecular formula C29H38Cl2N2O2 and a molecular weight of 517.54 g/mol. Its IUPAC name is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide
PubChem CID10152547
Molecular FormulaC29H38Cl2N2O2
Molecular Weight517.54 g/mol
Exact Mass516.23
IUPAC NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide
SMILESCC(NC(=O)CCC1CCN(C(=O)C(C)(C)C)CC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C29H38Cl2N2O2/c1-20(26(23-8-12-25(31)13-9-23)19-22-5-10-24(30)11-6-22)32-27(34)14-7-21-15-17-33(18-16-21)28(35)29(2,3)4/h5-6,8-13,20-21,26H,7,14-19H2,1-4H3,(H,32,34)
InChIKeyVDBMUGIMMFVGPM-UHFFFAOYSA-N
XLogP6.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide
CID 10195542
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
3-(2-azabicyclo[2.2.1]heptan-2-yl)-N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]propanamide;2,2,2-trifluoroacetate
CID 160834446
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
CID 23404775
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)urea
CID 10173713
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51254315
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 75872095
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 10194383
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 70997075
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide (CID 10152547) is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide is CC(NC(=O)CCC1CCN(C(=O)C(C)(C)C)CC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide?
The InChIKey is VDBMUGIMMFVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38Cl2N2O2/c1-20(26(23-8-12-25(31)13-9-23)19-22-5-10-24(30)11-6-22)32-27(34)14-7-21-15-17-33(18-16-21)28(35)29(2,3)4/h5-6,8-13,20-21,26H,7,14-19H2,1-4H3,(H,32,34).
What are the key properties of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide?
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide has a molecular weight of 517.54 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 10152547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).