methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate

C16H30N2O2 — CID 83994584

IUPACmethyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(C)C)CN(C2CC(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-11(2)8-17-14-7-13(16(19)20-4)9-18(10-14)15-5-12(3)6-15/h11-15,17H,5-10H2,1-4H3
InChIKeySXFISKXAESUVJN-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.89
Rot. Bonds5

About methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate

methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate (PubChem CID 83994584) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
PubChem CID83994584
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(C)C)CN(C2CC(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-11(2)8-17-14-7-13(16(19)20-4)9-18(10-14)15-5-12(3)6-15/h11-15,17H,5-10H2,1-4H3
InChIKeySXFISKXAESUVJN-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(ethylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylate
CID 83990547
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
CID 83994391
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
CID 83990533
1-cyclopentyl-5-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994516
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008
methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
CID 83993878

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate (CID 83994584) is methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate is COC(=O)C1CC(NCC(C)C)CN(C2CC(C)C2)C1.
What is the InChIKey of methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate?
The InChIKey is SXFISKXAESUVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)8-17-14-7-13(16(19)20-4)9-18(10-14)15-5-12(3)6-15/h11-15,17H,5-10H2,1-4H3.
What are the key properties of methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate?
methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83994584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).