4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride

C37H48Cl2N4O3 — CID 139760881

IUPAC4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCC(NC(=O)CC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C37H47ClN4O3.ClH/c1-2-39-35(44)42-24-18-33(19-25-42)40-34(43)28-36(29-10-5-3-6-11-29,30-12-7-4-8-13-30)20-9-23-41-26-21-37(45,22-27-41)31-14-16-32(38)17-15-31;/h3-8,10-17,33,45H,2,9,18-28H2,1H3,(H,39,44)(H,40,43);1H
InChIKeyAHIBUYZNSAWEMC-UHFFFAOYSA-N
MW667.72 g/mol
LogP6.51
Rot. Bonds11

About 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride

4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride (PubChem CID 139760881) has the molecular formula C37H48Cl2N4O3 and a molecular weight of 667.72 g/mol. Its IUPAC name is 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride
PubChem CID139760881
Molecular FormulaC37H48Cl2N4O3
Molecular Weight667.72 g/mol
Exact Mass666.31
IUPAC Name4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCC(NC(=O)CC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C37H47ClN4O3.ClH/c1-2-39-35(44)42-24-18-33(19-25-42)40-34(43)28-36(29-10-5-3-6-11-29,30-12-7-4-8-13-30)20-9-23-41-26-21-37(45,22-27-41)31-14-16-32(38)17-15-31;/h3-8,10-17,33,45H,2,9,18-28H2,1H3,(H,39,44)(H,40,43);1H
InChIKeyAHIBUYZNSAWEMC-UHFFFAOYSA-N
XLogP6.51
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.72
LogP ≤ 56.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide
CID 139760876
ethyl 2-[4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 139760866
6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide
CID 139760885
methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate
CID 11072275
ethyl 3-[4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidin-1-yl]-3-oxopropanoate
CID 54020921
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea
CID 70101097
N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide
CID 70099387
1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]urea
CID 11734303
4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]butanoic acid
CID 70100690
N-[4-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]piperidine-1-carbonyl]pyridine-3-carboxamide;dihydrochloride
CID 70100985
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(4-hydroxybutyl)urea;hydrochloride
CID 70098155
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(2-sulfamoylethyl)urea;hydrochloride
CID 70101165

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride (CID 139760881) is 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride is CCNC(=O)N1CCC(NC(=O)CC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is AHIBUYZNSAWEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47ClN4O3.ClH/c1-2-39-35(44)42-24-18-33(19-25-42)40-34(43)28-36(29-10-5-3-6-11-29,30-12-7-4-8-13-30)20-9-23-41-26-21-37(45,22-27-41)31-14-16-32(38)17-15-31;/h3-8,10-17,33,45H,2,9,18-28H2,1H3,(H,39,44)(H,40,43);1H.
What are the key properties of 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride?
4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 667.72 g/mol, XLogP of 6.51, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 139760881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).