ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate

C16H29NO2 — CID 103565026

IUPACethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CC(C(C)C)C1
InChIInChI=1S/C16H29NO2/c1-4-19-15(18)12-16(10-14(11-16)13(2)3)17-8-6-5-7-9-17/h13-14H,4-12H2,1-3H3
InChIKeyUABXESSSBPHLKG-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate

ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate (PubChem CID 103565026) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
PubChem CID103565026
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CC(C(C)C)C1
InChIInChI=1S/C16H29NO2/c1-4-19-15(18)12-16(10-14(11-16)13(2)3)17-8-6-5-7-9-17/h13-14H,4-12H2,1-3H3
InChIKeyUABXESSSBPHLKG-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
ethyl 2-[3-(azepan-1-yl)oxan-3-yl]acetate
CID 64528384
ethyl 2-(3-pyrrolidin-1-ylthiolan-3-yl)acetate
CID 64529167
ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
CID 106664184
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412
ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
CID 65050126
ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
CID 64755856

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate?
The IUPAC name of ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate (CID 103565026) is ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate.
What is the SMILES notation for ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate?
The canonical SMILES for ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate is CCOC(=O)CC1(N2CCCCC2)CC(C(C)C)C1.
What is the InChIKey of ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate?
The InChIKey is UABXESSSBPHLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-19-15(18)12-16(10-14(11-16)13(2)3)17-8-6-5-7-9-17/h13-14H,4-12H2,1-3H3.
What are the key properties of ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate?
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate has a molecular weight of 267.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate is sourced from PubChem (CID 103565026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).