N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide

C18H19Cl2N3O — CID 113106629

IUPACN-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-15-6-7-16(20)17(12-15)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyCMWBPSRCGKFCPD-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.03
Rot. Bonds3

About N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide

N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 113106629) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
PubChem CID113106629
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC NameN-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-15-6-7-16(20)17(12-15)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyCMWBPSRCGKFCPD-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108791
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107948
4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide
CID 27537986
4-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108765
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide (CID 113106629) is N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is CMWBPSRCGKFCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-15-6-7-16(20)17(12-15)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide?
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).