methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate

C18H23N3O4 — CID 44783659

IUPACmethyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C18H23N3O4/c1-25-18(24)15-12-20(16(22)14-7-4-8-19-11-14)9-10-21(15)17(23)13-5-2-3-6-13/h4,7-8,11,13,15H,2-3,5-6,9-10,12H2,1H3
InChIKeyTXFIFAMOQJZYOW-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.10
Rot. Bonds3

About methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate

methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate (PubChem CID 44783659) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
PubChem CID44783659
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C18H23N3O4/c1-25-18(24)15-12-20(16(22)14-7-4-8-19-11-14)9-10-21(15)17(23)13-5-2-3-6-13/h4,7-8,11,13,15H,2-3,5-6,9-10,12H2,1H3
InChIKeyTXFIFAMOQJZYOW-UHFFFAOYSA-N
XLogP1.10
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 163173658
methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783658
methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783641
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 101432816
methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 7127856
methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783646
methyl (2R)-2-[[(2S)-1-acetyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 162913099
methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783614

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The IUPAC name of methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate (CID 44783659) is methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate is COC(=O)C1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCCC1.
What is the InChIKey of methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The InChIKey is TXFIFAMOQJZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-25-18(24)15-12-20(16(22)14-7-4-8-19-11-14)9-10-21(15)17(23)13-5-2-3-6-13/h4,7-8,11,13,15H,2-3,5-6,9-10,12H2,1H3.
What are the key properties of methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate?
methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 44783659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).