2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one

C23H34FN3O2 — CID 42702663

IUPAC2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H34FN3O2/c1-3-5-9-18(4-2)22(28)27-13-8-12-21(27)23(29)26-16-14-25(15-17-26)20-11-7-6-10-19(20)24/h6-7,10-11,18,21H,3-5,8-9,12-17H2,1-2H3
InChIKeyQDHBYGCUQPGOOV-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.68
Rot. Bonds7

About 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one

2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one (PubChem CID 42702663) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one
PubChem CID42702663
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H34FN3O2/c1-3-5-9-18(4-2)22(28)27-13-8-12-21(27)23(29)26-16-14-25(15-17-26)20-11-7-6-10-19(20)24/h6-7,10-11,18,21H,3-5,8-9,12-17H2,1-2H3
InChIKeyQDHBYGCUQPGOOV-UHFFFAOYSA-N
XLogP3.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
(2R)-1-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-(methylaminomethyl)hexan-1-one
CID 142864607
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
[1-(benzenesulfonyl)pyrrolidin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42702670
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047
N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide
CID 10390194
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110687296
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
(2S)-1-(2-ethylhexanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143505

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one (CID 42702663) is 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one is CCCCC(CC)C(=O)N1CCCC1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one?
The InChIKey is QDHBYGCUQPGOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-3-5-9-18(4-2)22(28)27-13-8-12-21(27)23(29)26-16-14-25(15-17-26)20-11-7-6-10-19(20)24/h6-7,10-11,18,21H,3-5,8-9,12-17H2,1-2H3.
What are the key properties of 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one?
2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one has a molecular weight of 403.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 42702663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).