ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate

C18H24ClN3O3 — CID 75138329

IUPACethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CC(c3ccccc3Cl)NN2)CC1
InChIInChI=1S/C18H24ClN3O3/c1-2-25-18(24)12-7-9-22(10-8-12)17(23)16-11-15(20-21-16)13-5-3-4-6-14(13)19/h3-6,12,15-16,20-21H,2,7-11H2,1H3
InChIKeyCEBPGCYEKHSURF-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.05
Rot. Bonds4

About ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 75138329) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate
PubChem CID75138329
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Nameethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CC(c3ccccc3Cl)NN2)CC1
InChIInChI=1S/C18H24ClN3O3/c1-2-25-18(24)12-7-9-22(10-8-12)17(23)16-11-15(20-21-16)13-5-3-4-6-14(13)19/h3-6,12,15-16,20-21H,2,7-11H2,1H3
InChIKeyCEBPGCYEKHSURF-UHFFFAOYSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate
CID 75255093
[5-(2-chlorophenyl)pyrazolidin-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 74623758
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
ethyl 1-(1-benzhydrylazetidine-3-carbonyl)piperidine-4-carboxylate
CID 29133609
1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide
CID 74601974
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 17152941
ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 4315196
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
ethyl 1-[1-[(2-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 4223675

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate (CID 75138329) is ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CC(c3ccccc3Cl)NN2)CC1.
What is the InChIKey of ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is CEBPGCYEKHSURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-2-25-18(24)12-7-9-22(10-8-12)17(23)16-11-15(20-21-16)13-5-3-4-6-14(13)19/h3-6,12,15-16,20-21H,2,7-11H2,1H3.
What are the key properties of ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 365.86 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 75138329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).