ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate

C19H27N3O3 — CID 74324679

IUPACethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)C2CNNC2)C1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(24)19(11-15-7-4-3-5-8-15)9-6-10-22(14-19)17(23)16-12-20-21-13-16/h3-5,7-8,16,20-21H,2,6,9-14H2,1H3
InChIKeyBTRKADIGXJIPIE-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.12
Rot. Bonds5

About ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate

ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 74324679) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate
PubChem CID74324679
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)C2CNNC2)C1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(24)19(11-15-7-4-3-5-8-15)9-6-10-22(14-19)17(23)16-12-20-21-13-16/h3-5,7-8,16,20-21H,2,6,9-14H2,1H3
InChIKeyBTRKADIGXJIPIE-UHFFFAOYSA-N
XLogP1.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 26411375
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CID 42396158
ethyl (3S)-1-[(2R)-2-amino-3-phenylmethoxypropanoyl]-3-benzylpiperidine-3-carboxylate
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ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(isoquinoline-3-carbonyl)piperidine-3-carboxylate
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ethyl (3S)-3-benzylpiperidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate (CID 74324679) is ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)C2CNNC2)C1.
What is the InChIKey of ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is BTRKADIGXJIPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-18(24)19(11-15-7-4-3-5-8-15)9-6-10-22(14-19)17(23)16-12-20-21-13-16/h3-5,7-8,16,20-21H,2,6,9-14H2,1H3.
What are the key properties of ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate?
ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 74324679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).