methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate

C21H30N2O3 — CID 156864343

IUPACmethyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC(c3ccc(C(C)C)cc3)CC2)C1
InChIInChI=1S/C21H30N2O3/c1-14(2)15-4-6-16(7-5-15)17-8-10-23(11-9-17)20(24)18-12-19(13-18)22-21(25)26-3/h4-7,14,17-19H,8-13H2,1-3H3,(H,22,25)
InChIKeyFGQVGLKVVIRDNT-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.65
Rot. Bonds4

About methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate

methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate (PubChem CID 156864343) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
PubChem CID156864343
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namemethyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC(c3ccc(C(C)C)cc3)CC2)C1
InChIInChI=1S/C21H30N2O3/c1-14(2)15-4-6-16(7-5-15)17-8-10-23(11-9-17)20(24)18-12-19(13-18)22-21(25)26-3/h4-7,14,17-19H,8-13H2,1-3H3,(H,22,25)
InChIKeyFGQVGLKVVIRDNT-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864271
methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864304
methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864335
methyl N-[3-[(1S,5R)-6-[3-(2-methylpropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
CID 156825684
tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 156864323
methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
CID 156825741
2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
CID 154252055
methyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564816
N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one
CID 160992069
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 46262425
methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate
CID 163667030

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate (CID 156864343) is methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate is COC(=O)NC1CC(C(=O)N2CCC(c3ccc(C(C)C)cc3)CC2)C1.
What is the InChIKey of methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate?
The InChIKey is FGQVGLKVVIRDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(2)15-4-6-16(7-5-15)17-8-10-23(11-9-17)20(24)18-12-19(13-18)22-21(25)26-3/h4-7,14,17-19H,8-13H2,1-3H3,(H,22,25).
What are the key properties of methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate?
methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate has a molecular weight of 358.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 156864343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).