methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate

C34H42N6O5 — CID 66755808

IUPACmethyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccc(C(=O)N(C)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)nc2)CC1
InChIInChI=1S/C34H42N6O5/c1-37(32(41)31-13-12-26(24-35-31)25-39-20-22-40(23-21-39)34(43)44-2)18-19-38-16-14-28(15-17-38)45-33(42)36-30-11-7-6-10-29(30)27-8-4-3-5-9-27/h3-13,24,28H,14-23,25H2,1-2H3,(H,36,42)
InChIKeyYULMDCNUUMVDDD-UHFFFAOYSA-N
MW614.75 g/mol
LogP4.42
Rot. Bonds9

About methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate

methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate (PubChem CID 66755808) has the molecular formula C34H42N6O5 and a molecular weight of 614.75 g/mol. Its IUPAC name is methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate
PubChem CID66755808
Molecular FormulaC34H42N6O5
Molecular Weight614.75 g/mol
Exact Mass614.32
IUPAC Namemethyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccc(C(=O)N(C)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)nc2)CC1
InChIInChI=1S/C34H42N6O5/c1-37(32(41)31-13-12-26(24-35-31)25-39-20-22-40(23-21-39)34(43)44-2)18-19-38-16-14-28(15-17-38)45-33(42)36-30-11-7-6-10-29(30)27-8-4-3-5-9-27/h3-13,24,28H,14-23,25H2,1-2H3,(H,36,42)
InChIKeyYULMDCNUUMVDDD-UHFFFAOYSA-N
XLogP4.42
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate 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

[1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 54596243
[1-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984903
[1-[2-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984337
ethyl 1-[[4-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]phenyl]methyl]piperidine-4-carboxylate
CID 57459432
[1-[2-[[4-[[4-[(2-amino-2-oxoethyl)carbamoyl]piperidin-1-yl]methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11856913
[1-[2-[[4-[(cyclopropanecarbonylamino)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984840
benzyl N-methyl-N-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamate
CID 58058123
[1-[2-[methyl-[5-(pyrrolidin-1-ylmethyl)thiophene-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44815659
[1-[2-[[4-[(5-carbamoyl-1,3-dihydroisoindol-2-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 145281904
[1-[2-[[4-[[(2-methoxyphenyl)methylamino]methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11997494
4-[[[4-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 66671694
[1-[2-[[2-[4-[[4-(dimethylcarbamoyl)piperazin-1-yl]methyl]phenyl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66756290

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate (CID 66755808) is methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2ccc(C(=O)N(C)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)nc2)CC1.
What is the InChIKey of methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate?
The InChIKey is YULMDCNUUMVDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6O5/c1-37(32(41)31-13-12-26(24-35-31)25-39-20-22-40(23-21-39)34(43)44-2)18-19-38-16-14-28(15-17-38)45-33(42)36-30-11-7-6-10-29(30)27-8-4-3-5-9-27/h3-13,24,28H,14-23,25H2,1-2H3,(H,36,42).
What are the key properties of methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate?
methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate has a molecular weight of 614.75 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]-3-pyridinyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 66755808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).