N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide

C21H26ClN3O — CID 110658318

IUPACN-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(Cl)c2)CC(C)N1CCc1ccccc1
InChIInChI=1S/C21H26ClN3O/c1-16-14-24(21(26)23-20-10-6-9-19(22)13-20)15-17(2)25(16)12-11-18-7-4-3-5-8-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,23,26)
InChIKeyQAEFOLDNYSTXRN-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.51
Rot. Bonds4

About N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide

N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 110658318) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID110658318
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(Cl)c2)CC(C)N1CCc1ccccc1
InChIInChI=1S/C21H26ClN3O/c1-16-14-24(21(26)23-20-10-6-9-19(22)13-20)15-17(2)25(16)12-11-18-7-4-3-5-8-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,23,26)
InChIKeyQAEFOLDNYSTXRN-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
CID 110290209
4-[[(2S,6R)-2,6-dimethyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl]benzoic acid
CID 118367030
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139916
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110393954
3-(3-chlorophenyl)-1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110629171
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
methyl 4-[[(2S,6R)-2,6-dimethyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl]benzoate
CID 118367502
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide (CID 110658318) is N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide is CC1CN(C(=O)Nc2cccc(Cl)c2)CC(C)N1CCc1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is QAEFOLDNYSTXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-16-14-24(21(26)23-20-10-6-9-19(22)13-20)15-17(2)25(16)12-11-18-7-4-3-5-8-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 110658318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).