1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one

C22H37N3O3 — CID 55921479

IUPAC1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCN(C(=O)C2CCCN2C(=O)C2CCCCC2)CC1
InChIInChI=1S/C22H37N3O3/c1-17(2)10-11-20(26)23-13-15-24(16-14-23)22(28)19-9-6-12-25(19)21(27)18-7-4-3-5-8-18/h17-19H,3-16H2,1-2H3
InChIKeyJDUWTDKCBODQBB-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.66
Rot. Bonds5

About 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one

1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 55921479) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one
PubChem CID55921479
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCN(C(=O)C2CCCN2C(=O)C2CCCCC2)CC1
InChIInChI=1S/C22H37N3O3/c1-17(2)10-11-20(26)23-13-15-24(16-14-23)22(28)19-9-6-12-25(19)21(27)18-7-4-3-5-8-18/h17-19H,3-16H2,1-2H3
InChIKeyJDUWTDKCBODQBB-UHFFFAOYSA-N
XLogP2.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one with MolForge

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Related Compounds

cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone
CID 71875909
cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 106837048
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 43355899
(3R)-1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81126746
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone
CID 94154419
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
2-(4-chlorophenoxy)-1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 55887148

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one (CID 55921479) is 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1CCN(C(=O)C2CCCN2C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is JDUWTDKCBODQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-17(2)10-11-20(26)23-13-15-24(16-14-23)22(28)19-9-6-12-25(19)21(27)18-7-4-3-5-8-18/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one?
1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 391.56 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 55921479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).