cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone

C29H37N3O2 — CID 22241011

IUPACcyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C29H37N3O2/c33-27(24-10-4-1-5-11-24)31-18-16-29(17-19-31,25-12-6-2-7-13-25)28(34)32-22-20-30(21-23-32)26-14-8-3-9-15-26/h2-3,6-9,12-15,24H,1,4-5,10-11,16-23H2
InChIKeyLFVIJRPDASFUJY-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.48
Rot. Bonds4

About cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone

cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone (PubChem CID 22241011) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
PubChem CID22241011
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Namecyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C29H37N3O2/c33-27(24-10-4-1-5-11-24)31-18-16-29(17-19-31,25-12-6-2-7-13-25)28(34)32-22-20-30(21-23-32)26-14-8-3-9-15-26/h2-3,6-9,12-15,24H,1,4-5,10-11,16-23H2
InChIKeyLFVIJRPDASFUJY-UHFFFAOYSA-N
XLogP4.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 22241002
4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 68506569
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55731339
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110438
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone (CID 22241011) is cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)(c2ccccc2)CC1.
What is the InChIKey of cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone?
The InChIKey is LFVIJRPDASFUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c33-27(24-10-4-1-5-11-24)31-18-16-29(17-19-31,25-12-6-2-7-13-25)28(34)32-22-20-30(21-23-32)26-14-8-3-9-15-26/h2-3,6-9,12-15,24H,1,4-5,10-11,16-23H2.
What are the key properties of cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone?
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone has a molecular weight of 459.63 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 22241011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).