methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate

C36H45ClN4O4 — CID 11072275

IUPACmethyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C36H45ClN4O4/c1-45-34(43)41-23-17-32(18-24-41)39-33(42)38-27-35(28-9-4-2-5-10-28,29-11-6-3-7-12-29)19-8-22-40-25-20-36(44,21-26-40)30-13-15-31(37)16-14-30/h2-7,9-16,32,44H,8,17-27H2,1H3,(H2,38,39,42)
InChIKeyQNHKVEUPGHSYFU-UHFFFAOYSA-N
MW633.23 g/mol
LogP5.92
Rot. Bonds10

About methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate

methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 11072275) has the molecular formula C36H45ClN4O4 and a molecular weight of 633.23 g/mol. Its IUPAC name is methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID11072275
Molecular FormulaC36H45ClN4O4
Molecular Weight633.23 g/mol
Exact Mass632.31
IUPAC Namemethyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C36H45ClN4O4/c1-45-34(43)41-23-17-32(18-24-41)39-33(42)38-27-35(28-9-4-2-5-10-28,29-11-6-3-7-12-29)19-8-22-40-25-20-36(44,21-26-40)30-13-15-31(37)16-14-30/h2-7,9-16,32,44H,8,17-27H2,1H3,(H2,38,39,42)
InChIKeyQNHKVEUPGHSYFU-UHFFFAOYSA-N
XLogP5.92
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.23
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

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
1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]urea
CID 11734303
4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride
CID 139760881
N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide
CID 70099387
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(4-hydroxybutyl)urea
CID 10995329
4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]butanoic acid
CID 70100690
ethyl 2-[4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 139760866
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(4-hydroxybutyl)urea;hydrochloride
CID 70098155
6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide
CID 139760876
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(2-sulfamoylethyl)urea;hydrochloride
CID 70101165
6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide
CID 139760885

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate (CID 11072275) is methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is QNHKVEUPGHSYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45ClN4O4/c1-45-34(43)41-23-17-32(18-24-41)39-33(42)38-27-35(28-9-4-2-5-10-28,29-11-6-3-7-12-29)19-8-22-40-25-20-36(44,21-26-40)30-13-15-31(37)16-14-30/h2-7,9-16,32,44H,8,17-27H2,1H3,(H2,38,39,42).
What are the key properties of methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate?
methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 633.23 g/mol, XLogP of 5.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 11072275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).