4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one

C17H33N3O2 — CID 120596115

IUPAC4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCOC(CN)CC(=O)N1CCCC(CN2CCCCC2C)C1
InChIInChI=1S/C17H33N3O2/c1-14-6-3-4-8-19(14)12-15-7-5-9-20(13-15)17(21)10-16(11-18)22-2/h14-16H,3-13,18H2,1-2H3
InChIKeyRIGNZOSIGWYPIU-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.46
Rot. Bonds6

About 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one

4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 120596115) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID120596115
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCOC(CN)CC(=O)N1CCCC(CN2CCCCC2C)C1
InChIInChI=1S/C17H33N3O2/c1-14-6-3-4-8-19(14)12-15-7-5-9-20(13-15)17(21)10-16(11-18)22-2/h14-16H,3-13,18H2,1-2H3
InChIKeyRIGNZOSIGWYPIU-UHFFFAOYSA-N
XLogP1.46
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 120596449
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
2-methoxy-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 106114423
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867638
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one (CID 120596115) is 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one is COC(CN)CC(=O)N1CCCC(CN2CCCCC2C)C1.
What is the InChIKey of 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is RIGNZOSIGWYPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-6-3-4-8-19(14)12-15-7-5-9-20(13-15)17(21)10-16(11-18)22-2/h14-16H,3-13,18H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 311.47 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120596115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).