3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide

C21H31FN4O2 — CID 120735563

IUPAC3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C21H31FN4O2/c1-15(2)12-24-21(28)25-9-4-6-17(14-25)20(27)26-10-8-23-13-19(26)16-5-3-7-18(22)11-16/h3,5,7,11,15,17,19,23H,4,6,8-10,12-14H2,1-2H3,(H,24,28)
InChIKeyCLXIMMCYQOUYMJ-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.38
Rot. Bonds4

About 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide

3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 120735563) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID120735563
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC Name3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C21H31FN4O2/c1-15(2)12-24-21(28)25-9-4-6-17(14-25)20(27)26-10-8-23-13-19(26)16-5-3-7-18(22)11-16/h3,5,7,11,15,17,19,23H,4,6,8-10,12-14H2,1-2H3,(H,24,28)
InChIKeyCLXIMMCYQOUYMJ-UHFFFAOYSA-N
XLogP2.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 120738005
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120735636
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120737862
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 120736144

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide (CID 120735563) is 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1.
What is the InChIKey of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is CLXIMMCYQOUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-15(2)12-24-21(28)25-9-4-6-17(14-25)20(27)26-10-8-23-13-19(26)16-5-3-7-18(22)11-16/h3,5,7,11,15,17,19,23H,4,6,8-10,12-14H2,1-2H3,(H,24,28).
What are the key properties of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 390.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 120735563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).