4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide

C17H33N3O3 — CID 120941475

IUPAC4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide
SMILESCOC1CCN(C(C)(C)CNC(=O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C17H33N3O3/c1-16(2,20-8-4-14(22-3)5-9-20)13-19-15(21)17(12-18)6-10-23-11-7-17/h14H,4-13,18H2,1-3H3,(H,19,21)
InChIKeyBNACAFZLAQPMQL-UHFFFAOYSA-N
MW327.47 g/mol
LogP0.75
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide (PubChem CID 120941475) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide
PubChem CID120941475
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide
SMILESCOC1CCN(C(C)(C)CNC(=O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C17H33N3O3/c1-16(2,20-8-4-14(22-3)5-9-20)13-19-15(21)17(12-18)6-10-23-11-7-17/h14H,4-13,18H2,1-3H3,(H,19,21)
InChIKeyBNACAFZLAQPMQL-UHFFFAOYSA-N
XLogP0.75
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 115435181
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465
4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
CID 106275847
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
CID 115183609
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
CID 120933958
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide (CID 120941475) is 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide is COC1CCN(C(C)(C)CNC(=O)C2(CN)CCOCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide?
The InChIKey is BNACAFZLAQPMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-16(2,20-8-4-14(22-3)5-9-20)13-19-15(21)17(12-18)6-10-23-11-7-17/h14H,4-13,18H2,1-3H3,(H,19,21).
What are the key properties of 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide is sourced from PubChem (CID 120941475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).