cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone

C22H31N3O2 — CID 55731339

IUPACcyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCN1C(=O)C1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c26-21(18-8-3-1-4-9-18)25-13-7-12-20(25)22(27)24-16-14-23(15-17-24)19-10-5-2-6-11-19/h2,5-6,10-11,18,20H,1,3-4,7-9,12-17H2
InChIKeyDCFIGSDLHHOSTB-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.91
Rot. Bonds3

About cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone

cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone (PubChem CID 55731339) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
PubChem CID55731339
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Namecyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCN1C(=O)C1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c26-21(18-8-3-1-4-9-18)25-13-7-12-20(25)22(27)24-16-14-23(15-17-24)19-10-5-2-6-11-19/h2,5-6,10-11,18,20H,1,3-4,7-9,12-17H2
InChIKeyDCFIGSDLHHOSTB-UHFFFAOYSA-N
XLogP2.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
[2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 55730027
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 43355899
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone (CID 55731339) is cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone is O=C(C1CCCN1C(=O)C1CCCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone?
The InChIKey is DCFIGSDLHHOSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(18-8-3-1-4-9-18)25-13-7-12-20(25)22(27)24-16-14-23(15-17-24)19-10-5-2-6-11-19/h2,5-6,10-11,18,20H,1,3-4,7-9,12-17H2.
What are the key properties of cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone?
cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55731339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).