tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate

C19H28N2O3 — CID 24537576

IUPACtert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
SMILESCC1CCCCN1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-14-7-5-6-12-21(14)17(22)16-10-8-15(9-11-16)13-20-18(23)24-19(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,23)
InChIKeyGCPYNXLUXXLFNJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.73
Rot. Bonds3

About tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate

tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate (PubChem CID 24537576) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
PubChem CID24537576
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
SMILESCC1CCCCN1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-14-7-5-6-12-21(14)17(22)16-10-8-15(9-11-16)13-20-18(23)24-19(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,23)
InChIKeyGCPYNXLUXXLFNJ-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
tert-butyl N-[[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]carbamate
CID 51559795
tert-butyl N-[[4-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]phenyl]methyl]carbamate
CID 71829762
tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
CID 24537551
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341
1-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]-3-[4-[(3R)-3-methylpiperidin-1-yl]butyl]urea
CID 52506535
tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate
CID 24632584
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate (CID 24537576) is tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate is CC1CCCCN1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate?
The InChIKey is GCPYNXLUXXLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-7-5-6-12-21(14)17(22)16-10-8-15(9-11-16)13-20-18(23)24-19(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate is sourced from PubChem (CID 24537576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).