N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C17H19BrN4O — CID 113108531

IUPACN-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H19BrN4O/c18-15-5-1-2-6-16(15)20-17(23)22-10-8-21(9-11-22)13-14-4-3-7-19-12-14/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyLBKMJJCEOQNPLQ-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.19
Rot. Bonds3

About N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108531) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID113108531
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H19BrN4O/c18-15-5-1-2-6-16(15)20-17(23)22-10-8-21(9-11-22)13-14-4-3-7-19-12-14/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyLBKMJJCEOQNPLQ-UHFFFAOYSA-N
XLogP3.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 23993903
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108542

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 113108531) is N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccccc1Br)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LBKMJJCEOQNPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-15-5-1-2-6-16(15)20-17(23)22-10-8-21(9-11-22)13-14-4-3-7-19-12-14/h1-7,12H,8-11,13H2,(H,20,23).
What are the key properties of N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).