N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide

C23H31N3O2 — CID 42850796

IUPACN-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C23H31N3O2/c1-4-18(2)24-23(27)20-9-7-8-19(16-20)17-25-12-14-26(15-13-25)21-10-5-6-11-22(21)28-3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,24,27)
InChIKeyQNLLCMVBFZVGKR-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.55
Rot. Bonds7

About N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide

N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 42850796) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID42850796
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C23H31N3O2/c1-4-18(2)24-23(27)20-9-7-8-19(16-20)17-25-12-14-26(15-13-25)21-10-5-6-11-22(21)28-3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,24,27)
InChIKeyQNLLCMVBFZVGKR-UHFFFAOYSA-N
XLogP3.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918442
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 46043451
N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 59144676
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-2,6-dimethoxybenzamide
CID 5134441
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 43924692
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925854
2,6-dimethoxy-N-[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-6-yl]benzamide
CID 91207748
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide (CID 42850796) is N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide is CCC(C)NC(=O)c1cccc(CN2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is QNLLCMVBFZVGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-18(2)24-23(27)20-9-7-8-19(16-20)17-25-12-14-26(15-13-25)21-10-5-6-11-22(21)28-3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,24,27).
What are the key properties of N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 42850796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).