ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate

C16H30N2O2 — CID 64526459

IUPACethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
SMILESCCCN1CCC(CC(=O)OCC)(N2CCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-9-17-12-7-16(8-13-17,14-15(19)20-4-2)18-10-5-6-11-18/h3-14H2,1-2H3
InChIKeyTZNUQGSATKRCEY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.28
Rot. Bonds6

About ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate

ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate (PubChem CID 64526459) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
PubChem CID64526459
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
SMILESCCCN1CCC(CC(=O)OCC)(N2CCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-9-17-12-7-16(8-13-17,14-15(19)20-4-2)18-10-5-6-11-18/h3-14H2,1-2H3
InChIKeyTZNUQGSATKRCEY-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-(3-pyrrolidin-1-ylthiolan-3-yl)acetate
CID 64529167
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
CID 65422517
ethyl 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421003
ethyl 2-[3-(azepan-1-yl)oxan-3-yl]acetate
CID 64528384
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
CID 64528602
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
2-[4-(4-methylpiperazin-1-yl)-1-propylazepan-4-yl]acetic acid
CID 65422711
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
CID 103565026
ethyl 2-[3-(4-methylpiperazin-1-yl)-1,1-dioxothian-3-yl]acetate
CID 65420784

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate (CID 64526459) is ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate is CCCN1CCC(CC(=O)OCC)(N2CCCC2)CC1.
What is the InChIKey of ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate?
The InChIKey is TZNUQGSATKRCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-9-17-12-7-16(8-13-17,14-15(19)20-4-2)18-10-5-6-11-18/h3-14H2,1-2H3.
What are the key properties of ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate?
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate has a molecular weight of 282.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate is sourced from PubChem (CID 64526459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).