4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide

C27H27N5O2 — CID 10161278

IUPAC4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1nc2ccccc2nc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H27N5O2/c1-34-26-25(28-22-14-8-9-15-23(22)29-26)30-27(33)32-18-16-31(17-19-32)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3,(H,28,30,33)
InChIKeyFFWZNLWHGIKRTJ-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.58
Rot. Bonds5

About 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide

4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 10161278) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID10161278
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1nc2ccccc2nc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H27N5O2/c1-34-26-25(28-22-14-8-9-15-23(22)29-26)30-27(33)32-18-16-31(17-19-32)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3,(H,28,30,33)
InChIKeyFFWZNLWHGIKRTJ-UHFFFAOYSA-N
XLogP4.58
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244515
N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 69243942
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
4-benzhydryl-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 24528636
4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69241684
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide (CID 10161278) is 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide is COc1nc2ccccc2nc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is FFWZNLWHGIKRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-34-26-25(28-22-14-8-9-15-23(22)29-26)30-27(33)32-18-16-31(17-19-32)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3,(H,28,30,33).
What are the key properties of 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 10161278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).