3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide

C16H22ClN3O2 — CID 109018277

IUPAC3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N1CCN(CCC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-13(21)20-10-8-19(9-11-20)7-6-16(22)18-12-14-2-4-15(17)5-3-14/h2-5H,6-12H2,1H3,(H,18,22)
InChIKeyIHMVZJCRGRILOQ-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.51
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide

3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 109018277) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID109018277
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N1CCN(CCC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-13(21)20-10-8-19(9-11-20)7-6-16(22)18-12-14-2-4-15(17)5-3-14/h2-5H,6-12H2,1H3,(H,18,22)
InChIKeyIHMVZJCRGRILOQ-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
(3S,4S)-1-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72885040
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid
CID 82031259

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide (CID 109018277) is 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide is CC(=O)N1CCN(CCC(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is IHMVZJCRGRILOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-13(21)20-10-8-19(9-11-20)7-6-16(22)18-12-14-2-4-15(17)5-3-14/h2-5H,6-12H2,1H3,(H,18,22).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide?
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 323.82 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 109018277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).