ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate

C19H29N5O4 — CID 7351393

IUPACethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C(=O)c2cnccn2)[C@H](C)CC)CC1
InChIInChI=1S/C19H29N5O4/c1-4-15(3)24(18(26)16-14-20-7-8-21-16)9-6-17(25)22-10-12-23(13-11-22)19(27)28-5-2/h7-8,14-15H,4-6,9-13H2,1-3H3/t15-/m1/s1
InChIKeyBGWWPKLWRDQBRG-OAHLLOKOSA-N
MW391.47 g/mol
LogP1.41
Rot. Bonds7

About ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate

ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate (PubChem CID 7351393) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
PubChem CID7351393
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Nameethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C(=O)c2cnccn2)[C@H](C)CC)CC1
InChIInChI=1S/C19H29N5O4/c1-4-15(3)24(18(26)16-14-20-7-8-21-16)9-6-17(25)22-10-12-23(13-11-22)19(27)28-5-2/h7-8,14-15H,4-6,9-13H2,1-3H3/t15-/m1/s1
InChIKeyBGWWPKLWRDQBRG-OAHLLOKOSA-N
XLogP1.41
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide
CID 5198140
ethyl 1-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 7412423
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193
ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 1031632
N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783403
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
CID 54925819
N-ethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 7328717
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 5210403
2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
CID 108569986
ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
N-(3-ethoxypropyl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783381

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate (CID 7351393) is ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCN(C(=O)c2cnccn2)[C@H](C)CC)CC1.
What is the InChIKey of ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate?
The InChIKey is BGWWPKLWRDQBRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-4-15(3)24(18(26)16-14-20-7-8-21-16)9-6-17(25)22-10-12-23(13-11-22)19(27)28-5-2/h7-8,14-15H,4-6,9-13H2,1-3H3/t15-/m1/s1.
What are the key properties of ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 7351393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).