N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide

C18H29N3O — CID 18094346

IUPACN-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccccc1N1CCN(C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-14-8-6-7-9-16(14)21-12-10-20(11-13-21)15(2)17(22)19-18(3,4)5/h6-9,15H,10-13H2,1-5H3,(H,19,22)
InChIKeyIFNDKRFOONEMCZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.42
Rot. Bonds3

About N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide

N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 18094346) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
PubChem CID18094346
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccccc1N1CCN(C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-14-8-6-7-9-16(14)21-12-10-20(11-13-21)15(2)17(22)19-18(3,4)5/h6-9,15H,10-13H2,1-5H3,(H,19,22)
InChIKeyIFNDKRFOONEMCZ-UHFFFAOYSA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92987492
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 41084376
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide (CID 18094346) is N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide is Cc1ccccc1N1CCN(C(C)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is IFNDKRFOONEMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-8-6-7-9-16(14)21-12-10-20(11-13-21)15(2)17(22)19-18(3,4)5/h6-9,15H,10-13H2,1-5H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 303.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 18094346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).