ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate

C19H26N4O4 — CID 1031632

IUPACethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN(C(=O)c2cnccn2)C2CC2)CC1
InChIInChI=1S/C19H26N4O4/c1-2-27-19(26)14-5-10-22(11-6-14)17(24)7-12-23(15-3-4-15)18(25)16-13-20-8-9-21-16/h8-9,13-15H,2-7,10-12H2,1H3
InChIKeyJNTZOOWHNRWLJM-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.27
Rot. Bonds7

About ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate (PubChem CID 1031632) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
PubChem CID1031632
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN(C(=O)c2cnccn2)C2CC2)CC1
InChIInChI=1S/C19H26N4O4/c1-2-27-19(26)14-5-10-22(11-6-14)17(24)7-12-23(15-3-4-15)18(25)16-13-20-8-9-21-16/h8-9,13-15H,2-7,10-12H2,1H3
InChIKeyJNTZOOWHNRWLJM-UHFFFAOYSA-N
XLogP1.27
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 7412423
N-cyclopropyl-N-[3-(dipropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783325
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
N-ethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 7328717
N-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 816542
ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 7351393
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
ethyl 1-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoyl]piperidine-4-carboxylate
CID 110838688
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 5210403
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-[4-(2-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 110676268

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate (CID 1031632) is ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCN(C(=O)c2cnccn2)C2CC2)CC1.
What is the InChIKey of ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate?
The InChIKey is JNTZOOWHNRWLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-2-27-19(26)14-5-10-22(11-6-14)17(24)7-12-23(15-3-4-15)18(25)16-13-20-8-9-21-16/h8-9,13-15H,2-7,10-12H2,1H3.
What are the key properties of ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 1.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 1031632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).