N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide

C19H22BrN3O — CID 17217595

IUPACN-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CN1CCN(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C19H22BrN3O/c1-15-6-2-3-7-16(15)14-22-10-12-23(13-11-22)19(24)21-18-9-5-4-8-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyZYDZBLLRFBXGMP-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.11
Rot. Bonds3

About N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide

N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 17217595) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID17217595
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CN1CCN(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C19H22BrN3O/c1-15-6-2-3-7-16(15)14-22-10-12-23(13-11-22)19(24)21-18-9-5-4-8-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyZYDZBLLRFBXGMP-UHFFFAOYSA-N
XLogP4.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide
CID 141151957
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108531
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 23993903

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 17217595) is N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccccc1CN1CCN(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is ZYDZBLLRFBXGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-15-6-2-3-7-16(15)14-22-10-12-23(13-11-22)19(24)21-18-9-5-4-8-17(18)20/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17217595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).