2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide

C21H31ClN2O — CID 110309152

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCC(C)CN1CCC(CNC(=O)C(c2ccc(Cl)cc2)C2CC2)CC1
InChIInChI=1S/C21H31ClN2O/c1-15(2)14-24-11-9-16(10-12-24)13-23-21(25)20(17-3-4-17)18-5-7-19(22)8-6-18/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H,23,25)
InChIKeyQJEXDQFFIQOZHD-UHFFFAOYSA-N
MW362.94 g/mol
LogP4.32
Rot. Bonds7

About 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide

2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide (PubChem CID 110309152) has the molecular formula C21H31ClN2O and a molecular weight of 362.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
PubChem CID110309152
Molecular FormulaC21H31ClN2O
Molecular Weight362.94 g/mol
Exact Mass362.21
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCC(C)CN1CCC(CNC(=O)C(c2ccc(Cl)cc2)C2CC2)CC1
InChIInChI=1S/C21H31ClN2O/c1-15(2)14-24-11-9-16(10-12-24)13-23-21(25)20(17-3-4-17)18-5-7-19(22)8-6-18/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H,23,25)
InChIKeyQJEXDQFFIQOZHD-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.94
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide (CID 110309152) is 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide is CC(C)CN1CCC(CNC(=O)C(c2ccc(Cl)cc2)C2CC2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is QJEXDQFFIQOZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O/c1-15(2)14-24-11-9-16(10-12-24)13-23-21(25)20(17-3-4-17)18-5-7-19(22)8-6-18/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 362.94 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110309152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).