ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate

C16H30N2O2 — CID 79651264

IUPACethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCCC1CCN(C2CCC(N)(C(=O)OCC)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-5-13-7-10-18(11-8-13)14-6-9-16(17,12-14)15(19)20-4-2/h13-14H,3-12,17H2,1-2H3
InChIKeyOOTXSOFQNLCPMB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds5

About ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate

ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 79651264) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID79651264
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCCC1CCN(C2CCC(N)(C(=O)OCC)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-5-13-7-10-18(11-8-13)14-6-9-16(17,12-14)15(19)20-4-2/h13-14H,3-12,17H2,1-2H3
InChIKeyOOTXSOFQNLCPMB-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-amino-3-(4-tert-butylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647883
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989
1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide
CID 79651227
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486
ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 102966438
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79650764
ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 107394788
methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651204
1-(cyclopropylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79647898
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
CID 79650847
ethyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxylate
CID 79647422

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate (CID 79651264) is ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate is CCCC1CCN(C2CCC(N)(C(=O)OCC)C2)CC1.
What is the InChIKey of ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is OOTXSOFQNLCPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-13-7-10-18(11-8-13)14-6-9-16(17,12-14)15(19)20-4-2/h13-14H,3-12,17H2,1-2H3.
What are the key properties of ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79651264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).