ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate

C14H23FN2O3 — CID 67406181

IUPACethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)N2CC[C@H](F)C2)CC1
InChIInChI=1S/C14H23FN2O3/c1-2-20-13(18)9-11-3-6-16(7-4-11)14(19)17-8-5-12(15)10-17/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyHRYXRAQFVQQTDO-LBPRGKRZSA-N
MW286.35 g/mol
LogP1.82
Rot. Bonds3

About ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate

ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate (PubChem CID 67406181) has the molecular formula C14H23FN2O3 and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate
PubChem CID67406181
Molecular FormulaC14H23FN2O3
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Nameethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)N2CC[C@H](F)C2)CC1
InChIInChI=1S/C14H23FN2O3/c1-2-20-13(18)9-11-3-6-16(7-4-11)14(19)17-8-5-12(15)10-17/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyHRYXRAQFVQQTDO-LBPRGKRZSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate (CID 67406181) is ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate is CCOC(=O)CC1CCN(C(=O)N2CC[C@H](F)C2)CC1.
What is the InChIKey of ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate?
The InChIKey is HRYXRAQFVQQTDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23FN2O3/c1-2-20-13(18)9-11-3-6-16(7-4-11)14(19)17-8-5-12(15)10-17/h11-12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate?
ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate has a molecular weight of 286.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate is sourced from PubChem (CID 67406181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).