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

C17H19BrN4O — CID 17184534

IUPACN-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H19BrN4O/c18-14-4-3-6-15(12-14)20-17(23)22-10-8-21(9-11-22)13-16-5-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyZEKLMDVZCSGRPF-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.19
Rot. Bonds3

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

N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 17184534) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID17184534
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H19BrN4O/c18-14-4-3-6-15(12-14)20-17(23)22-10-8-21(9-11-22)13-16-5-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyZEKLMDVZCSGRPF-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-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 55470161
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
4-(1,3-benzoxazol-2-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 52999883
4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113108369
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 3570763
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 17184534) is N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(Nc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ZEKLMDVZCSGRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-14-4-3-6-15(12-14)20-17(23)22-10-8-21(9-11-22)13-16-5-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23).
What are the key properties of N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-(3-bromophenyl)-4-(pyridin-2-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-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17184534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).