methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate

C34H54N2O2 — CID 142032910

IUPACmethyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
SMILESCOC(=O)N(C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1)C1CCCCC1C1CCCCC1
InChIInChI=1S/C34H54N2O2/c1-38-34(37)36(33-18-9-8-17-32(33)30-15-6-3-7-16-30)31-20-19-29(25-31)26-35-23-21-28(22-24-35)14-10-13-27-11-4-2-5-12-27/h2,4-5,11-12,28-33H,3,6-10,13-26H2,1H3
InChIKeyDVXYCIHGKNJLPF-UHFFFAOYSA-N
MW522.82 g/mol
LogP8.10
Rot. Bonds9

About methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate

methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate (PubChem CID 142032910) has the molecular formula C34H54N2O2 and a molecular weight of 522.82 g/mol. Its IUPAC name is methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
PubChem CID142032910
Molecular FormulaC34H54N2O2
Molecular Weight522.82 g/mol
Exact Mass522.42
IUPAC Namemethyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
SMILESCOC(=O)N(C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1)C1CCCCC1C1CCCCC1
InChIInChI=1S/C34H54N2O2/c1-38-34(37)36(33-18-9-8-17-32(33)30-15-6-3-7-16-30)31-20-19-29(25-31)26-35-23-21-28(22-24-35)14-10-13-27-11-4-2-5-12-27/h2,4-5,11-12,28-33H,3,6-10,13-26H2,1H3
InChIKeyDVXYCIHGKNJLPF-UHFFFAOYSA-N
XLogP8.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.82
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The IUPAC name of methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate (CID 142032910) is methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate.
What is the SMILES notation for methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The canonical SMILES for methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate is COC(=O)N(C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1)C1CCCCC1C1CCCCC1.
What is the InChIKey of methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The InChIKey is DVXYCIHGKNJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54N2O2/c1-38-34(37)36(33-18-9-8-17-32(33)30-15-6-3-7-16-30)31-20-19-29(25-31)26-35-23-21-28(22-24-35)14-10-13-27-11-4-2-5-12-27/h2,4-5,11-12,28-33H,3,6-10,13-26H2,1H3.
What are the key properties of methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate has a molecular weight of 522.82 g/mol, XLogP of 8.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate is sourced from PubChem (CID 142032910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).