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

C18H24ClN3O3 — CID 75255093

IUPACethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC(c3ccccc3Cl)NN2)C1
InChIInChI=1S/C18H24ClN3O3/c1-2-25-18(24)12-6-5-9-22(11-12)17(23)16-10-15(20-21-16)13-7-3-4-8-14(13)19/h3-4,7-8,12,15-16,20-21H,2,5-6,9-11H2,1H3
InChIKeyLBZBYHUHPNTWCH-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.05
Rot. Bonds4

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

ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 75255093) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID75255093
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Nameethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC(c3ccccc3Cl)NN2)C1
InChIInChI=1S/C18H24ClN3O3/c1-2-25-18(24)12-6-5-9-22(11-12)17(23)16-10-15(20-21-16)13-7-3-4-8-14(13)19/h3-4,7-8,12,15-16,20-21H,2,5-6,9-11H2,1H3
InChIKeyLBZBYHUHPNTWCH-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-4-carboxylate
CID 75138329
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl 1-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 47005232
ethyl (3S)-1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylate
CID 81338377
[5-(2-chlorophenyl)pyrazolidin-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 74623758
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
CID 81345446
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 899552
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
CID 108883477

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate (CID 75255093) is ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CC(c3ccccc3Cl)NN2)C1.
What is the InChIKey of ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is LBZBYHUHPNTWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-2-25-18(24)12-6-5-9-22(11-12)17(23)16-10-15(20-21-16)13-7-3-4-8-14(13)19/h3-4,7-8,12,15-16,20-21H,2,5-6,9-11H2,1H3.
What are the key properties of ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-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-3-carboxylate is sourced from PubChem (CID 75255093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).