N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide

C18H28N2O2 — CID 90505505

IUPACN-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-7-9-16(10-8-15)19-17(21)20-11-5-6-14(12-20)13-22-4/h7-10,14H,5-6,11-13H2,1-4H3,(H,19,21)
InChIKeyFLIKXJOPPMWXRB-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.87
Rot. Bonds3

About N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide

N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 90505505) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
PubChem CID90505505
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-7-9-16(10-8-15)19-17(21)20-11-5-6-14(12-20)13-22-4/h7-10,14H,5-6,11-13H2,1-4H3,(H,19,21)
InChIKeyFLIKXJOPPMWXRB-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
CID 95768258
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599250
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
4-[(4-tert-butylphenyl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71958612
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate
CID 55698633

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide (CID 90505505) is N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide is COCC1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is FLIKXJOPPMWXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)15-7-9-16(10-8-15)19-17(21)20-11-5-6-14(12-20)13-22-4/h7-10,14H,5-6,11-13H2,1-4H3,(H,19,21).
What are the key properties of N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide?
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90505505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).