tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate

C25H38N2O3 — CID 142446246

IUPACtert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
SMILESCN(CC1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H38N2O3/c1-25(2,3)30-24(29)26(4)18-19-10-12-22(13-11-19)23(28)27-16-14-21(15-17-27)20-8-6-5-7-9-20/h5-9,19,21-22H,10-18H2,1-4H3
InChIKeyRTDXPKQXSZVSOB-UHFFFAOYSA-N
MW414.59 g/mol
LogP5.07
Rot. Bonds4

About tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate

tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate (PubChem CID 142446246) has the molecular formula C25H38N2O3 and a molecular weight of 414.59 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
PubChem CID142446246
Molecular FormulaC25H38N2O3
Molecular Weight414.59 g/mol
Exact Mass414.29
IUPAC Nametert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
SMILESCN(CC1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H38N2O3/c1-25(2,3)30-24(29)26(4)18-19-10-12-22(13-11-19)23(28)27-16-14-21(15-17-27)20-8-6-5-7-9-20/h5-9,19,21-22H,10-18H2,1-4H3
InChIKeyRTDXPKQXSZVSOB-UHFFFAOYSA-N
XLogP5.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate (CID 142446246) is tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate is CN(CC1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate?
The InChIKey is RTDXPKQXSZVSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3/c1-25(2,3)30-24(29)26(4)18-19-10-12-22(13-11-19)23(28)27-16-14-21(15-17-27)20-8-6-5-7-9-20/h5-9,19,21-22H,10-18H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate?
tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate has a molecular weight of 414.59 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 142446246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).