N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide

C19H30N2O2 — CID 108877640

IUPACN-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
SMILESCc1ccc(OCNC(=O)N2CCCCC2C)c(C(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-14-9-10-17(16(12-14)19(3,4)5)23-13-20-18(22)21-11-7-6-8-15(21)2/h9-10,12,15H,6-8,11,13H2,1-5H3,(H,20,22)
InChIKeyLYGOYFMMPTXFPX-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.21
Rot. Bonds3

About N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide

N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide (PubChem CID 108877640) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
PubChem CID108877640
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
SMILESCc1ccc(OCNC(=O)N2CCCCC2C)c(C(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-14-9-10-17(16(12-14)19(3,4)5)23-13-20-18(22)21-11-7-6-8-15(21)2/h9-10,12,15H,6-8,11,13H2,1-5H3,(H,20,22)
InChIKeyLYGOYFMMPTXFPX-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, dihydro-1-(2-(3-methyl-4-propoxyphenyl)ethyl)-
CID 600579
4-Hydroxy-4-(4-methoxy-phenyl)-piperidine-1-carboxylic acid cyclohexylamide
CID 645525
3-[4-[2-[[2-(2-Methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1,1-dimethylurea
CID 164608879
N-cyclohexyl-N'-[2-(4-methoxyphenyl)ethyl]urea
CID 840552
1-Cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]urea
CID 6469329
2-(4-methoxyphenyl)ethyl N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 122194378
1-[2-(4-Methoxyphenyl)ethyl]-3-[(1-methyl-4-phenylpiperidin-4-yl)methyl]urea
CID 122194380
1,1-diethyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
CID 118873023
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]piperidine-1-carboxamide
CID 118873024
Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride
CID 54034
2,4(1H,3H)-Pyrimidinedione, dihydro-1-(2-(4-methoxy-3-methylphenyl)ethyl)-
CID 948784
1-Cyclopropyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
CID 40077028

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide (CID 108877640) is N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide is Cc1ccc(OCNC(=O)N2CCCCC2C)c(C(C)(C)C)c1.
What is the InChIKey of N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is LYGOYFMMPTXFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-9-10-17(16(12-14)19(3,4)5)23-13-20-18(22)21-11-7-6-8-15(21)2/h9-10,12,15H,6-8,11,13H2,1-5H3,(H,20,22).
What are the key properties of N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide?
N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108877640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).