tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate

C19H29N3O4 — CID 171933094

IUPACtert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate
SMILESCOc1ccc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1N
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)21(4)14-8-10-22(11-9-14)17(23)13-6-7-16(25-5)15(20)12-13/h6-7,12,14H,8-11,20H2,1-5H3
InChIKeyUGCNHXJOSNCFMS-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.75
Rot. Bonds3

About tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 171933094) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate
PubChem CID171933094
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate
SMILESCOc1ccc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1N
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)21(4)14-8-10-22(11-9-14)17(23)13-6-7-16(25-5)15(20)12-13/h6-7,12,14H,8-11,20H2,1-5H3
InChIKeyUGCNHXJOSNCFMS-UHFFFAOYSA-N
XLogP2.75
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate
CID 142621549
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66393989
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-amino-4-methoxyphenyl)methanone
CID 82747080
tert-butyl N-[[1-(3-amino-4-phenylmethoxybenzoyl)piperidin-4-yl]methyl]carbamate
CID 171933146
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
tert-butyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-N-methylcarbamate
CID 71646916

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate (CID 171933094) is tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate is COc1ccc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1N.
What is the InChIKey of tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is UGCNHXJOSNCFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)21(4)14-8-10-22(11-9-14)17(23)13-6-7-16(25-5)15(20)12-13/h6-7,12,14H,8-11,20H2,1-5H3.
What are the key properties of tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 363.46 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 171933094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).