[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate

C20H24N4O3 — CID 7950100

IUPAC[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C20H24N4O3/c1-14-12-22-18(13-21-14)20(26)27-15(2)19(25)23-16-6-8-17(9-7-16)24-10-4-3-5-11-24/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyHNOSJJNYCXAHMT-OAHLLOKOSA-N
MW368.44 g/mol
LogP2.96
Rot. Bonds5

About [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate

[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate (PubChem CID 7950100) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate
PubChem CID7950100
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C20H24N4O3/c1-14-12-22-18(13-21-14)20(26)27-15(2)19(25)23-16-6-8-17(9-7-16)24-10-4-3-5-11-24/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyHNOSJJNYCXAHMT-OAHLLOKOSA-N
XLogP2.96
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18078044
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
[(2S)-1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 5-methyl-1H-pyrazole-3-carboxylate
CID 97196799
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949863
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017618
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950114
[1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate
CID 71899204
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7259407
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-methylfuran-3-carboxylate
CID 8968505
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 42972971
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 8860962
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3,5-dimethoxybenzoate
CID 8528312

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate (CID 7950100) is [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cn1.
What is the InChIKey of [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate?
The InChIKey is HNOSJJNYCXAHMT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-12-22-18(13-21-14)20(26)27-15(2)19(25)23-16-6-8-17(9-7-16)24-10-4-3-5-11-24/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate?
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).