ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate

C17H25N5O3 — CID 32647962

IUPACethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C17H25N5O3/c1-2-25-17(24)22-7-3-4-14(13-22)16(23)21-10-8-20(9-11-21)15-12-18-5-6-19-15/h5-6,12,14H,2-4,7-11,13H2,1H3/t14-/m0/s1
InChIKeyJOIPILLEGWKCDJ-AWEZNQCLSA-N
MW347.42 g/mol
LogP0.99
Rot. Bonds3

About ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate

ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 32647962) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID32647962
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Nameethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C17H25N5O3/c1-2-25-17(24)22-7-3-4-14(13-22)16(23)21-10-8-20(9-11-21)15-12-18-5-6-19-15/h5-6,12,14H,2-4,7-11,13H2,1H3/t14-/m0/s1
InChIKeyJOIPILLEGWKCDJ-AWEZNQCLSA-N
XLogP0.99
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
ethyl 4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate
CID 42022539
(3-aminocyclopentyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 66009185
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 97192888
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 100871021
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954798
[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 51934537
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 155510142

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate (CID 32647962) is ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate is CCOC(=O)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1.
What is the InChIKey of ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is JOIPILLEGWKCDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-2-25-17(24)22-7-3-4-14(13-22)16(23)21-10-8-20(9-11-21)15-12-18-5-6-19-15/h5-6,12,14H,2-4,7-11,13H2,1H3/t14-/m0/s1.
What are the key properties of ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate?
ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 32647962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).