ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate

C22H32FN3O2 — CID 74812711

IUPACethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CC2)CCN(CC2CNNC2c2cccc(F)c2)CC1
InChIInChI=1S/C22H32FN3O2/c1-2-28-21(27)22(13-16-6-7-16)8-10-26(11-9-22)15-18-14-24-25-20(18)17-4-3-5-19(23)12-17/h3-5,12,16,18,20,24-25H,2,6-11,13-15H2,1H3
InChIKeyWTHKPGZXENJMJI-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.04
Rot. Bonds7

About ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate

ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate (PubChem CID 74812711) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate
PubChem CID74812711
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC Nameethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CC2)CCN(CC2CNNC2c2cccc(F)c2)CC1
InChIInChI=1S/C22H32FN3O2/c1-2-28-21(27)22(13-16-6-7-16)8-10-26(11-9-22)15-18-14-24-25-20(18)17-4-3-5-19(23)12-17/h3-5,12,16,18,20,24-25H,2,6-11,13-15H2,1H3
InChIKeyWTHKPGZXENJMJI-UHFFFAOYSA-N
XLogP3.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate (CID 74812711) is ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1(CC2CC2)CCN(CC2CNNC2c2cccc(F)c2)CC1.
What is the InChIKey of ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate?
The InChIKey is WTHKPGZXENJMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-2-28-21(27)22(13-16-6-7-16)8-10-26(11-9-22)15-18-14-24-25-20(18)17-4-3-5-19(23)12-17/h3-5,12,16,18,20,24-25H,2,6-11,13-15H2,1H3.
What are the key properties of ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate?
ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate has a molecular weight of 389.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 74812711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).