4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide

C21H32FN3O2 — CID 42954156

IUPAC4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NC(C)CCCC(C)C)CC2)c(F)c1
InChIInChI=1S/C21H32FN3O2/c1-15(2)6-5-7-16(3)23-21(27)25-12-10-24(11-13-25)20-9-8-18(17(4)26)14-19(20)22/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,23,27)
InChIKeyDVFGHUWMDWJSGC-UHFFFAOYSA-N
MW377.50 g/mol
LogP4.07
Rot. Bonds7

About 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide

4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide (PubChem CID 42954156) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide
PubChem CID42954156
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC Name4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NC(C)CCCC(C)C)CC2)c(F)c1
InChIInChI=1S/C21H32FN3O2/c1-15(2)6-5-7-16(3)23-21(27)25-12-10-24(11-13-25)20-9-8-18(17(4)26)14-19(20)22/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,23,27)
InChIKeyDVFGHUWMDWJSGC-UHFFFAOYSA-N
XLogP4.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 17445710
4-(4-acetyl-2-fluorophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 17407851
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
N-(6-methylheptan-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42954158
N-[1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55435428
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 51250482
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 51322795
4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837390
1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone
CID 75442320
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119837006

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide (CID 42954156) is 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)NC(C)CCCC(C)C)CC2)c(F)c1.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide?
The InChIKey is DVFGHUWMDWJSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-15(2)6-5-7-16(3)23-21(27)25-12-10-24(11-13-25)20-9-8-18(17(4)26)14-19(20)22/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,23,27).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide?
4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide has a molecular weight of 377.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 42954156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).