[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride

C21H30ClFN4O2 — CID 120735636

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
SMILESCl.O=C(N1CCCC1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C21H29FN4O2.ClH/c22-18-7-3-5-16(13-18)19-14-23-8-12-26(19)20(27)17-6-4-11-25(15-17)21(28)24-9-1-2-10-24;/h3,5,7,13,17,19,23H,1-2,4,6,8-12,14-15H2;1H
InChIKeySNMNCVSRAXUJJZ-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.65
Rot. Bonds2

About [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride

[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride (PubChem CID 120735636) has the molecular formula C21H30ClFN4O2 and a molecular weight of 424.95 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
PubChem CID120735636
Molecular FormulaC21H30ClFN4O2
Molecular Weight424.95 g/mol
Exact Mass424.20
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
SMILESCl.O=C(N1CCCC1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C21H29FN4O2.ClH/c22-18-7-3-5-16(13-18)19-14-23-8-12-26(19)20(27)17-6-4-11-25(15-17)21(28)24-9-1-2-10-24;/h3,5,7,13,17,19,23H,1-2,4,6,8-12,14-15H2;1H
InChIKeySNMNCVSRAXUJJZ-UHFFFAOYSA-N
XLogP2.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride with MolForge

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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-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120737862
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120735563
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331
[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 120737317
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride (CID 120735636) is [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride is Cl.O=C(N1CCCC1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The InChIKey is SNMNCVSRAXUJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2.ClH/c22-18-7-3-5-16(13-18)19-14-23-8-12-26(19)20(27)17-6-4-11-25(15-17)21(28)24-9-1-2-10-24;/h3,5,7,13,17,19,23H,1-2,4,6,8-12,14-15H2;1H.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120735636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).