2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide

C20H23N3O2 — CID 95856590

IUPAC2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1
InChIInChI=1S/C20H23N3O2/c1-12-9-15(12)20(25)23-8-4-6-14(11-23)18-16(19(21)24)10-13-5-2-3-7-17(13)22-18/h2-3,5,7,10,12,14-15H,4,6,8-9,11H2,1H3,(H2,21,24)/t12-,14+,15+/m1/s1
InChIKeyQYGPKRVWSXWDOS-SNPRPXQTSA-N
MW337.42 g/mol
LogP2.70
Rot. Bonds3

About 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide

2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 95856590) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
PubChem CID95856590
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1
InChIInChI=1S/C20H23N3O2/c1-12-9-15(12)20(25)23-8-4-6-14(11-23)18-16(19(21)24)10-13-5-2-3-7-17(13)22-18/h2-3,5,7,10,12,14-15H,4,6,8-9,11H2,1H3,(H2,21,24)/t12-,14+,15+/m1/s1
InChIKeyQYGPKRVWSXWDOS-SNPRPXQTSA-N
XLogP2.70
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide (CID 95856590) is 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide is C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1.
What is the InChIKey of 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is QYGPKRVWSXWDOS-SNPRPXQTSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-9-15(12)20(25)23-8-4-6-14(11-23)18-16(19(21)24)10-13-5-2-3-7-17(13)22-18/h2-3,5,7,10,12,14-15H,4,6,8-9,11H2,1H3,(H2,21,24)/t12-,14+,15+/m1/s1.
What are the key properties of 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide?
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 95856590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).