methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate

C15H30N4O2 — CID 79648094

IUPACmethyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(N2CCN(CCN(C)C)CC2)C1
InChIInChI=1S/C15H30N4O2/c1-17(2)6-7-18-8-10-19(11-9-18)13-4-5-15(16,12-13)14(20)21-3/h13H,4-12,16H2,1-3H3
InChIKeyRJBGSGFFTFANHL-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.41
Rot. Bonds5

About methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate

methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate (PubChem CID 79648094) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate
PubChem CID79648094
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Namemethyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(N2CCN(CCN(C)C)CC2)C1
InChIInChI=1S/C15H30N4O2/c1-17(2)6-7-18-8-10-19(11-9-18)13-4-5-15(16,12-13)14(20)21-3/h13H,4-12,16H2,1-3H3
InChIKeyRJBGSGFFTFANHL-UHFFFAOYSA-N
XLogP-0.41
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651204
[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
CID 79635510
methyl 1-amino-3-(4-tert-butylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79627839
methyl 1-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 79641971
1-amino-3-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650015
methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79651759
methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79650274
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639637
1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
CID 79654658
methyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]but-3-enoate
CID 114242422

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate (CID 79648094) is methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCC(N2CCN(CCN(C)C)CC2)C1.
What is the InChIKey of methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate?
The InChIKey is RJBGSGFFTFANHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-17(2)6-7-18-8-10-19(11-9-18)13-4-5-15(16,12-13)14(20)21-3/h13H,4-12,16H2,1-3H3.
What are the key properties of methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate?
methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79648094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).