4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide

C23H24BrN3O2 — CID 92768333

IUPAC4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H24BrN3O2/c24-20-10-8-19(9-11-20)22(18-5-2-1-3-6-18)26-12-14-27(15-13-26)23(28)25-17-21-7-4-16-29-21/h1-11,16,22H,12-15,17H2,(H,25,28)/t22-/m0/s1
InChIKeyXKGFNGGRQLEKLN-QFIPXVFZSA-N
MW454.37 g/mol
LogP4.66
Rot. Bonds5

About 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide

4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 92768333) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID92768333
Molecular FormulaC23H24BrN3O2
Molecular Weight454.37 g/mol
Exact Mass453.11
IUPAC Name4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H24BrN3O2/c24-20-10-8-19(9-11-20)22(18-5-2-1-3-6-18)26-12-14-27(15-13-26)23(28)25-17-21-7-4-16-29-21/h1-11,16,22H,12-15,17H2,(H,25,28)/t22-/m0/s1
InChIKeyXKGFNGGRQLEKLN-QFIPXVFZSA-N
XLogP4.66
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzhydryl-N-[2-(4-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108902253
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
CID 92768650
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
4-N-[cyclopropyl(phenyl)methyl]-1-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 47028581
1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 92760743
(2R)-1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92769934
4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
CID 167594860
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 92769392
N-[(4-chlorophenyl)methyl]-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768403

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 92768333) is 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccco1)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is XKGFNGGRQLEKLN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c24-20-10-8-19(9-11-20)22(18-5-2-1-3-6-18)26-12-14-27(15-13-26)23(28)25-17-21-7-4-16-29-21/h1-11,16,22H,12-15,17H2,(H,25,28)/t22-/m0/s1.
What are the key properties of 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 454.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(4-bromophenyl)-phenylmethyl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 92768333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).