ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate

C16H31N3O2 — CID 79645136

IUPACethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
SMILESCCCN1CCN(C2CCC(NC)(C(=O)OCC)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-4-8-18-9-11-19(12-10-18)14-6-7-16(13-14,17-3)15(20)21-5-2/h14,17H,4-13H2,1-3H3
InChIKeyNUUVCWIFUVHPCL-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds6

About ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate

ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate (PubChem CID 79645136) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
PubChem CID79645136
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nameethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
SMILESCCCN1CCN(C2CCC(NC)(C(=O)OCC)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-4-8-18-9-11-19(12-10-18)14-6-7-16(13-14,17-3)15(20)21-5-2/h14,17H,4-13H2,1-3H3
InChIKeyNUUVCWIFUVHPCL-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79636962
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79645140
ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894217
ethyl 1-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645147
ethyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79651185
ethyl 1-(cyclopropylamino)-3-morpholin-4-ylcyclopentane-1-carboxylate
CID 79650253
methyl 1-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79655269
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636107

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate (CID 79645136) is ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate is CCCN1CCN(C2CCC(NC)(C(=O)OCC)C2)CC1.
What is the InChIKey of ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is NUUVCWIFUVHPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-8-18-9-11-19(12-10-18)14-6-7-16(13-14,17-3)15(20)21-5-2/h14,17H,4-13H2,1-3H3.
What are the key properties of ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79645136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).