N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

C19H22BrN3O2 — CID 108898943

IUPACN-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NCc2cccc(Br)c2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-8-3-2-7-17(18)22-9-11-23(12-10-22)19(24)21-14-15-5-4-6-16(20)13-15/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyQZGSSXDDCPYASC-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.49
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 108898943) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID108898943
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NCc2cccc(Br)c2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-8-3-2-7-17(18)22-9-11-23(12-10-22)19(24)21-14-15-5-4-6-16(20)13-15/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyQZGSSXDDCPYASC-UHFFFAOYSA-N
XLogP3.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 127098637
N-[(3-bromophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108898979
4-acetyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898818
4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 119074163
tert-butyl 4-[(3-bromophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 60601996
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
4-benzyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898851
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 9155543
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 108898943) is N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)NCc2cccc(Br)c2)CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is QZGSSXDDCPYASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-25-18-8-3-2-7-17(18)22-9-11-23(12-10-22)19(24)21-14-15-5-4-6-16(20)13-15/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108898943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).