2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide

C16H24ClN3O — CID 46744278

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O/c1-12(2)18-16(21)13(3)19-8-10-20(11-9-19)15-6-4-14(17)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)
InChIKeyHNHSVUBPCOYURI-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.38
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 46744278) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID46744278
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O/c1-12(2)18-16(21)13(3)19-8-10-20(11-9-19)15-6-4-14(17)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)
InChIKeyHNHSVUBPCOYURI-UHFFFAOYSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide
CID 92987652
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 51242554
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 85009172
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 2570336

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 46744278) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is HNHSVUBPCOYURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12(2)18-16(21)13(3)19-8-10-20(11-9-19)15-6-4-14(17)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 46744278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).