tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate

C24H36N2O3 — CID 164832714

IUPACtert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCCC(c3ccccc3)C2)CC1
InChIInChI=1S/C24H36N2O3/c1-24(2,3)29-23(28)25-16-18-11-13-20(14-12-18)22(27)26-15-7-10-21(17-26)19-8-5-4-6-9-19/h4-6,8-9,18,20-21H,7,10-17H2,1-3H3,(H,25,28)
InChIKeyCHQACILKJBRDFR-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.72
Rot. Bonds4

About tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate (PubChem CID 164832714) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
PubChem CID164832714
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Nametert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCCC(c3ccccc3)C2)CC1
InChIInChI=1S/C24H36N2O3/c1-24(2,3)29-23(28)25-16-18-11-13-20(14-12-18)22(27)26-15-7-10-21(17-26)19-8-5-4-6-9-19/h4-6,8-9,18,20-21H,7,10-17H2,1-3H3,(H,25,28)
InChIKeyCHQACILKJBRDFR-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate
CID 42570281
tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate
CID 42649996
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
CID 46967384
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(3-phenylpiperidin-1-yl)pentanoic acid
CID 166748879
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
tert-butyl N-[3-[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]propyl]carbamate;hydroiodide
CID 111723154
tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
CID 122158230
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
methyl 2-[(4S,5R)-5-carbamoyl-1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]-4-phenylpyrrolidin-3-yl]benzoate
CID 118088692
tert-butyl N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007691

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate (CID 164832714) is tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCCC(c3ccccc3)C2)CC1.
What is the InChIKey of tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate?
The InChIKey is CHQACILKJBRDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-24(2,3)29-23(28)25-16-18-11-13-20(14-12-18)22(27)26-15-7-10-21(17-26)19-8-5-4-6-9-19/h4-6,8-9,18,20-21H,7,10-17H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate has a molecular weight of 400.56 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 164832714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).