N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide

C21H26ClN3O — CID 113107948

IUPACN-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O/c1-16(2)19-5-3-4-6-20(19)24-11-13-25(14-12-24)21(26)23-15-17-7-9-18(22)10-8-17/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyVGJCWHAUQHJWII-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.50
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113107948) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113107948
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O/c1-16(2)19-5-3-4-6-20(19)24-11-13-25(14-12-24)21(26)23-15-17-7-9-18(22)10-8-17/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyVGJCWHAUQHJWII-UHFFFAOYSA-N
XLogP4.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
N-[(4-chlorophenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186544
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526
4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 134006291
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113107948) is N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccccc1N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is VGJCWHAUQHJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-16(2)19-5-3-4-6-20(19)24-11-13-25(14-12-24)21(26)23-15-17-7-9-18(22)10-8-17/h3-10,16H,11-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113107948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).