methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate

C13H24N2O2 — CID 83990533

IUPACmethyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
SMILESCCNC1CC(C(=O)OC)CN(C2CCC2)C1
InChIInChI=1S/C13H24N2O2/c1-3-14-11-7-10(13(16)17-2)8-15(9-11)12-5-4-6-12/h10-12,14H,3-9H2,1-2H3
InChIKeyFCYTTWKMOSSIOG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate

methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate (PubChem CID 83990533) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
PubChem CID83990533
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
SMILESCCNC1CC(C(=O)OC)CN(C2CCC2)C1
InChIInChI=1S/C13H24N2O2/c1-3-14-11-7-10(13(16)17-2)8-15(9-11)12-5-4-6-12/h10-12,14H,3-9H2,1-2H3
InChIKeyFCYTTWKMOSSIOG-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
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-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
CID 83993878
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
CID 83990502
2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
CID 83990535
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651
methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994584
1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
CID 83997980
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate
CID 171936317
1-cyclopropyl-N-ethyl-5-propylpiperidin-3-amine
CID 83990496

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate (CID 83990533) is methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate is CCNC1CC(C(=O)OC)CN(C2CCC2)C1.
What is the InChIKey of methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate?
The InChIKey is FCYTTWKMOSSIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-14-11-7-10(13(16)17-2)8-15(9-11)12-5-4-6-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate?
methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83990533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).