(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide

C18H20N4O — CID 155461974

IUPAC(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](c2ccc(C3C=N3)c3ncccc23)CN(C(N)=O)C1
InChIInChI=1S/C18H20N4O/c1-11-7-12(10-22(9-11)18(19)23)13-4-5-15(16-8-21-16)17-14(13)3-2-6-20-17/h2-6,8,11-12,16H,7,9-10H2,1H3,(H2,19,23)/t11-,12+,16?/m1/s1
InChIKeyOSBOONBMURNXLJ-WWMUWCCSSA-N
MW308.38 g/mol
LogP2.86
Rot. Bonds2

About (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide

(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide (PubChem CID 155461974) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide
PubChem CID155461974
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](c2ccc(C3C=N3)c3ncccc23)CN(C(N)=O)C1
InChIInChI=1S/C18H20N4O/c1-11-7-12(10-22(9-11)18(19)23)13-4-5-15(16-8-21-16)17-14(13)3-2-6-20-17/h2-6,8,11-12,16H,7,9-10H2,1H3,(H2,19,23)/t11-,12+,16?/m1/s1
InChIKeyOSBOONBMURNXLJ-WWMUWCCSSA-N
XLogP2.86
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide
CID 155462055
1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone
CID 155462113
5-[1-[2-(1-aminocyclopropyl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134253889
5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134237236
5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile
CID 134242487
1-[(3R,5R)-3-[8-(2H-azirin-2-yl)-7-fluoroquinolin-5-yl]-5-methylpiperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 134242538
1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155457809
1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone;1-[(3R,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 158528192
2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide
CID 134242529
5-[1-(4,4-difluorocyclohexanecarbonyl)-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134229295
(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide
CID 134237261
5-[(3R,5R)-5-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
CID 134229159

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide?
The IUPAC name of (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide (CID 155461974) is (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide is C[C@@H]1C[C@H](c2ccc(C3C=N3)c3ncccc23)CN(C(N)=O)C1.
What is the InChIKey of (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide?
The InChIKey is OSBOONBMURNXLJ-WWMUWCCSSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-7-12(10-22(9-11)18(19)23)13-4-5-15(16-8-21-16)17-14(13)3-2-6-20-17/h2-6,8,11-12,16H,7,9-10H2,1H3,(H2,19,23)/t11-,12+,16?/m1/s1.
What are the key properties of (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide?
(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide is sourced from PubChem (CID 155461974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).