ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate

C22H27N3O3 — CID 45241636

IUPACethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCCc2ccccc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C22H27N3O3/c1-2-28-21(27)22(11-6-10-18-8-4-3-5-9-18)12-7-15-25(17-22)20(26)19-16-23-13-14-24-19/h3-5,8-9,13-14,16H,2,6-7,10-12,15,17H2,1H3
InChIKeyRCQSICKLOCLAMV-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.29
Rot. Bonds7

About ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate

ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 45241636) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
PubChem CID45241636
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Nameethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCCc2ccccc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C22H27N3O3/c1-2-28-21(27)22(11-6-10-18-8-4-3-5-9-18)12-7-15-25(17-22)20(26)19-16-23-13-14-24-19/h3-5,8-9,13-14,16H,2,6-7,10-12,15,17H2,1H3
InChIKeyRCQSICKLOCLAMV-UHFFFAOYSA-N
XLogP3.29
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241974
ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 42212234
ethyl 3-(3-phenylpropyl)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate
CID 45246320
ethyl 1-(2-methylpyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 45245881
ethyl (3S)-3-(3-phenylpropyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylate
CID 42517147
ethyl (3S)-1-(2-methoxyacetyl)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 42384189
ethyl (3S)-3-(3-phenylpropyl)-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate
CID 42245625
ethyl (3R)-1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 42115031
ethyl (3S)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 25476752
ethyl (3R)-1-[5-(methoxymethyl)furan-2-carbonyl]-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 25384392
ethyl 3-(3-phenylpropyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 45242661
ethyl (3S)-1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 25461159

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate (CID 45241636) is ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(CCCc2ccccc2)CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is RCQSICKLOCLAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-28-21(27)22(11-6-10-18-8-4-3-5-9-18)12-7-15-25(17-22)20(26)19-16-23-13-14-24-19/h3-5,8-9,13-14,16H,2,6-7,10-12,15,17H2,1H3.
What are the key properties of ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 45241636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).