(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide

C24H33N3O — CID 9275099

IUPAC(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-19(2)18-25-24(28)20(3)26-14-16-27(17-15-26)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3,(H,25,28)/t20-/m0/s1
InChIKeyNTIGGAXGIRPDHA-FQEVSTJZSA-N
MW379.55 g/mol
LogP3.55
Rot. Bonds7

About (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide

(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 9275099) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID9275099
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-19(2)18-25-24(28)20(3)26-14-16-27(17-15-26)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3,(H,25,28)/t20-/m0/s1
InChIKeyNTIGGAXGIRPDHA-FQEVSTJZSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
CID 9275115
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate
CID 90844894
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492888
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide (CID 9275099) is (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is NTIGGAXGIRPDHA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O/c1-19(2)18-25-24(28)20(3)26-14-16-27(17-15-26)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide?
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 379.55 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 9275099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).