2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

C22H30Cl2N2O2 — CID 66627833

IUPAC2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(CCN2CCC(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1
InChIInChI=1S/C22H30Cl2N2O2/c23-18-5-6-20(24)19(14-18)22(28)17-8-11-26(12-9-17)10-7-15-1-3-16(4-2-15)13-21(25)27/h5-6,14-17H,1-4,7-13H2,(H2,25,27)
InChIKeyBGSFDBIFQVYZHG-UHFFFAOYSA-N
MW425.40 g/mol
LogP4.96
Rot. Bonds7

About 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 66627833) has the molecular formula C22H30Cl2N2O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID66627833
Molecular FormulaC22H30Cl2N2O2
Molecular Weight425.40 g/mol
Exact Mass424.17
IUPAC Name2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(CCN2CCC(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1
InChIInChI=1S/C22H30Cl2N2O2/c23-18-5-6-20(24)19(14-18)22(28)17-8-11-26(12-9-17)10-7-15-1-3-16(4-2-15)13-21(25)27/h5-6,14-17H,1-4,7-13H2,(H2,25,27)
InChIKeyBGSFDBIFQVYZHG-UHFFFAOYSA-N
XLogP4.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 66627799
2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 66627629
tert-butyl N-[4-[2-[4-(2,4-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 66628199
1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
CID 82073050
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
CID 54989164
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide
CID 107026185
2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 66741173
1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
CID 25015921
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 66627833) is 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is NC(=O)CC1CCC(CCN2CCC(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1.
What is the InChIKey of 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is BGSFDBIFQVYZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N2O2/c23-18-5-6-20(24)19(14-18)22(28)17-8-11-26(12-9-17)10-7-15-1-3-16(4-2-15)13-21(25)27/h5-6,14-17H,1-4,7-13H2,(H2,25,27).
What are the key properties of 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 425.40 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 66627833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).