N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide

C17H27N3O — CID 109002098

IUPACN-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(C)CCNC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-15(2)8-9-18-17(21)14-19-10-12-20(13-11-19)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,18,21)
InChIKeyFJHARLABZKTJNI-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.97
Rot. Bonds6

About N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 109002098) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID109002098
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(C)CCNC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-15(2)8-9-18-17(21)14-19-10-12-20(13-11-19)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,18,21)
InChIKeyFJHARLABZKTJNI-UHFFFAOYSA-N
XLogP1.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985
2-[4,7-bis(carboxymethyl)-10-[2-(3-methylbutylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 144632166
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8591460
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
2-[4-(carboxymethyl)-10-ethyl-7-[2-(3-methylbutylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 144632161
2-(4-phenylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 42859124
2-methyl-1-(3-methylbutyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110977848

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 109002098) is N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide is CC(C)CCNC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is FJHARLABZKTJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15(2)8-9-18-17(21)14-19-10-12-20(13-11-19)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 109002098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).