cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone

C29H36Cl2N2O2 — CID 44528703

IUPACcyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C29H36Cl2N2O2/c30-26-11-10-25(20-27(26)31)29(21-33(18-19-35-29)28(34)24-8-4-5-9-24)14-17-32-15-12-23(13-16-32)22-6-2-1-3-7-22/h1-3,6-7,10-11,20,23-24H,4-5,8-9,12-19,21H2
InChIKeyCAQDTTHBHLNZHJ-UHFFFAOYSA-N
MW515.53 g/mol
LogP6.51
Rot. Bonds6

About cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone

cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone (PubChem CID 44528703) has the molecular formula C29H36Cl2N2O2 and a molecular weight of 515.53 g/mol. Its IUPAC name is cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
PubChem CID44528703
Molecular FormulaC29H36Cl2N2O2
Molecular Weight515.53 g/mol
Exact Mass514.22
IUPAC Namecyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C29H36Cl2N2O2/c30-26-11-10-25(20-27(26)31)29(21-33(18-19-35-29)28(34)24-8-4-5-9-24)14-17-32-15-12-23(13-16-32)22-6-2-1-3-7-22/h1-3,6-7,10-11,20,23-24H,4-5,8-9,12-19,21H2
InChIKeyCAQDTTHBHLNZHJ-UHFFFAOYSA-N
XLogP6.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.53
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ssr 240600
CID 23649599
2-[1-[2-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 9917944
1-[2-[2-(4-Acetyl-4-phenylpiperidin-1-yl)ethyl]-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 44528700
1-[1-[2-[4-(Cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528701
1-[1-[2-[4-(Cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528702
Cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528705
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 44528710
1-[1-[2-[4-(3-Chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528723
(E)-1-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 44528726
(4-Chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528727
N-[2-(3,4-Dichloro-phenyl)-4-(4-ethoxy-4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44384522
1-[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]hexan-1-one
CID 44528704

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone?
The IUPAC name of cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone (CID 44528703) is cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone is O=C(C1CCCC1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone?
The InChIKey is CAQDTTHBHLNZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36Cl2N2O2/c30-26-11-10-25(20-27(26)31)29(21-33(18-19-35-29)28(34)24-8-4-5-9-24)14-17-32-15-12-23(13-16-32)22-6-2-1-3-7-22/h1-3,6-7,10-11,20,23-24H,4-5,8-9,12-19,21H2.
What are the key properties of cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone?
cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone has a molecular weight of 515.53 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 44528703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).