N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C23H31N3O — CID 109027175

IUPACN-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-23(2,3)19-9-11-20(12-10-19)24-22(27)13-14-25-15-17-26(18-16-25)21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3,(H,24,27)
InChIKeyHEMWHOLECQLPBQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.13
Rot. Bonds5

About N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 109027175) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID109027175
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-23(2,3)19-9-11-20(12-10-19)24-22(27)13-14-25-15-17-26(18-16-25)21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3,(H,24,27)
InChIKeyHEMWHOLECQLPBQ-UHFFFAOYSA-N
XLogP4.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 162643286
methyl 4-[4-[3-(4-phenylpiperazin-1-yl)propanoylamino]phenyl]butanoate
CID 14209810
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-[4-(3-chloro-2-hydroxypropoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 12941098
N-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46669454
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 109027175) is N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is CC(C)(C)c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is HEMWHOLECQLPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-23(2,3)19-9-11-20(12-10-19)24-22(27)13-14-25-15-17-26(18-16-25)21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3,(H,24,27).
What are the key properties of N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 365.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109027175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).