4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide

C16H22ClN3O2 — CID 47079935

IUPAC4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-12(2)18-16(22)20-9-7-19(8-10-20)15(21)11-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3,(H,18,22)
InChIKeyJQZMFUNXEUCCFD-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.14
Rot. Bonds3

About 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 47079935) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID47079935
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-12(2)18-16(22)20-9-7-19(8-10-20)15(21)11-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3,(H,18,22)
InChIKeyJQZMFUNXEUCCFD-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231
tert-butyl N-[2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108916056
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 47079935) is 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is JQZMFUNXEUCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-12(2)18-16(22)20-9-7-19(8-10-20)15(21)11-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3,(H,18,22).
What are the key properties of 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 47079935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).