ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate

C17H30N2O2 — CID 79645150

IUPACethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCC(N2CCCCC2C)C1
InChIInChI=1S/C17H30N2O2/c1-3-21-16(20)17(18-14-7-8-14)10-9-15(12-17)19-11-5-4-6-13(19)2/h13-15,18H,3-12H2,1-2H3
InChIKeyDQBUCGOAYNUTNS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.47
Rot. Bonds5

About ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate

ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 79645150) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID79645150
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCC(N2CCCCC2C)C1
InChIInChI=1S/C17H30N2O2/c1-3-21-16(20)17(18-14-7-8-14)10-9-15(12-17)19-11-5-4-6-13(19)2/h13-15,18H,3-12H2,1-2H3
InChIKeyDQBUCGOAYNUTNS-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
ethyl 1-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645147
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646922
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636107
ethyl 1-(cyclopropylamino)-3-morpholin-4-ylcyclopentane-1-carboxylate
CID 79650253
methyl 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647908
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate
CID 79648415
ethyl 3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646486

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate (CID 79645150) is ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(NC2CC2)CCC(N2CCCCC2C)C1.
What is the InChIKey of ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is DQBUCGOAYNUTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-21-16(20)17(18-14-7-8-14)10-9-15(12-17)19-11-5-4-6-13(19)2/h13-15,18H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79645150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).