4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide

C18H27N3O2 — CID 161246140

IUPAC4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(=O)c1cc(C(C)C)cc(N2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-13(2)15-10-16(14(3)22)12-17(11-15)20-6-8-21(9-7-20)18(23)19(4)5/h10-13H,6-9H2,1-5H3
InChIKeyCLFRTBHGPLGJMT-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.82
Rot. Bonds3

About 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide

4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 161246140) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID161246140
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(=O)c1cc(C(C)C)cc(N2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-13(2)15-10-16(14(3)22)12-17(11-15)20-6-8-21(9-7-20)18(23)19(4)5/h10-13H,6-9H2,1-5H3
InChIKeyCLFRTBHGPLGJMT-UHFFFAOYSA-N
XLogP2.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 138530380
1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone
CID 168514235
4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
CID 133313833
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 110453059
1-[4-(4-acetylphenyl)piperazin-1-yl]prop-2-en-1-one;2-methylpropane
CID 161095625
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
3,5-di(propan-2-yl)benzoic acid
CID 11958988
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112569

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide (CID 161246140) is 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide is CC(=O)c1cc(C(C)C)cc(N2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is CLFRTBHGPLGJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)15-10-16(14(3)22)12-17(11-15)20-6-8-21(9-7-20)18(23)19(4)5/h10-13H,6-9H2,1-5H3.
What are the key properties of 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 161246140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).