1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine

C55H66N8O4 — CID 87608350

IUPAC1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine
SMILESCOc1ccc(CN2CCC(N(c3cnc(-c4ccccc4)nc3)N(c3cnc(-c4ccccc4)nc3)C3CCN(Cc4ccc(OC)c(OC5CCCC5)c4)CC3)CC2)cc1OCC(C)C
InChIInChI=1S/C55H66N8O4/c1-40(2)39-66-52-31-41(19-21-50(52)64-3)37-60-27-23-45(24-28-60)62(47-33-56-54(57-34-47)43-13-7-5-8-14-43)63(48-35-58-55(59-36-48)44-15-9-6-10-16-44)46-25-29-61(30-26-46)38-42-20-22-51(65-4)53(32-42)67-49-17-11-12-18-49/h5-10,13-16,19-22,31-36,40,45-46,49H,11-12,17-18,23-30,37-39H2,1-4H3
InChIKeyVUTIPXXILMOSIU-UHFFFAOYSA-N
MW903.19 g/mol
LogP10.53
Rot. Bonds18

About 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine

1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine (PubChem CID 87608350) has the molecular formula C55H66N8O4 and a molecular weight of 903.19 g/mol. Its IUPAC name is 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine.

Molecular Properties

Compound Name1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine
PubChem CID87608350
Molecular FormulaC55H66N8O4
Molecular Weight903.19 g/mol
Exact Mass902.52
IUPAC Name1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine
SMILESCOc1ccc(CN2CCC(N(c3cnc(-c4ccccc4)nc3)N(c3cnc(-c4ccccc4)nc3)C3CCN(Cc4ccc(OC)c(OC5CCCC5)c4)CC3)CC2)cc1OCC(C)C
InChIInChI=1S/C55H66N8O4/c1-40(2)39-66-52-31-41(19-21-50(52)64-3)37-60-27-23-45(24-28-60)62(47-33-56-54(57-34-47)43-13-7-5-8-14-43)63(48-35-58-55(59-36-48)44-15-9-6-10-16-44)46-25-29-61(30-26-46)38-42-20-22-51(65-4)53(32-42)67-49-17-11-12-18-49/h5-10,13-16,19-22,31-36,40,45-46,49H,11-12,17-18,23-30,37-39H2,1-4H3
InChIKeyVUTIPXXILMOSIU-UHFFFAOYSA-N
XLogP10.53
TPSA101.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.19
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine
CID 67198548
1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine
CID 68872694
8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 25118086
N-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpyridin-4-amine
CID 67197649
N-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine
CID 67197218
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 54097241
7-chloro-N-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]quinolin-4-amine
CID 67195886
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211468
N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550278
2-[[1-[(4-methoxy-3-propoxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043450
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine?
The IUPAC name of 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine (CID 87608350) is 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine.
What is the SMILES notation for 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine?
The canonical SMILES for 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine is COc1ccc(CN2CCC(N(c3cnc(-c4ccccc4)nc3)N(c3cnc(-c4ccccc4)nc3)C3CCN(Cc4ccc(OC)c(OC5CCCC5)c4)CC3)CC2)cc1OCC(C)C.
What is the InChIKey of 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine?
The InChIKey is VUTIPXXILMOSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H66N8O4/c1-40(2)39-66-52-31-41(19-21-50(52)64-3)37-60-27-23-45(24-28-60)62(47-33-56-54(57-34-47)43-13-7-5-8-14-43)63(48-35-58-55(59-36-48)44-15-9-6-10-16-44)46-25-29-61(30-26-46)38-42-20-22-51(65-4)53(32-42)67-49-17-11-12-18-49/h5-10,13-16,19-22,31-36,40,45-46,49H,11-12,17-18,23-30,37-39H2,1-4H3.
What are the key properties of 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine?
1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine has a molecular weight of 903.19 g/mol, XLogP of 10.53, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine is sourced from PubChem (CID 87608350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).