tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate

C18H26N2O3 — CID 24537551

IUPACtert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
SMILESCC1CCCCN1C(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H26N2O3/c1-13-8-5-6-11-20(13)16(21)14-9-7-10-15(12-14)19-17(22)23-18(2,3)4/h7,9-10,12-13H,5-6,8,11H2,1-4H3,(H,19,22)
InChIKeyGXQHRZYVOZQNRE-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate

tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate (PubChem CID 24537551) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
PubChem CID24537551
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
SMILESCC1CCCCN1C(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H26N2O3/c1-13-8-5-6-11-20(13)16(21)14-9-7-10-15(12-14)19-17(22)23-18(2,3)4/h7,9-10,12-13H,5-6,8,11H2,1-4H3,(H,19,22)
InChIKeyGXQHRZYVOZQNRE-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520965
tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 24540087
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
tert-butyl N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]carbamate
CID 60559054
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
CID 55388968
tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473842
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
tert-butyl N-[3-[4-(cyclopropylcarbamoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 55904279
tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate
CID 9272226
tert-butyl N-[3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 60552319
tert-butyl N-[3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]carbamate
CID 55532756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate (CID 24537551) is tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate is CC1CCCCN1C(=O)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate?
The InChIKey is GXQHRZYVOZQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-8-5-6-11-20(13)16(21)14-9-7-10-15(12-14)19-17(22)23-18(2,3)4/h7,9-10,12-13H,5-6,8,11H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate?
tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate is sourced from PubChem (CID 24537551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).