(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide

C18H22N4O — CID 155462055

IUPAC(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide
SMILESC/N=C/c1ccc([C@H]2C[C@@H](C)CN(C(N)=O)C2)c2cccnc12
InChIInChI=1S/C18H22N4O/c1-12-8-14(11-22(10-12)18(19)23)15-6-5-13(9-20-2)17-16(15)4-3-7-21-17/h3-7,9,12,14H,8,10-11H2,1-2H3,(H2,19,23)/b20-9+/t12-,14+/m1/s1
InChIKeyWYBMEXLNZXHEDW-GAZDNGNESA-N
MW310.40 g/mol
LogP2.79
Rot. Bonds2

About (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide

(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide (PubChem CID 155462055) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide
PubChem CID155462055
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide
SMILESC/N=C/c1ccc([C@H]2C[C@@H](C)CN(C(N)=O)C2)c2cccnc12
InChIInChI=1S/C18H22N4O/c1-12-8-14(11-22(10-12)18(19)23)15-6-5-13(9-20-2)17-16(15)4-3-7-21-17/h3-7,9,12,14H,8,10-11H2,1-2H3,(H2,19,23)/b20-9+/t12-,14+/m1/s1
InChIKeyWYBMEXLNZXHEDW-GAZDNGNESA-N
XLogP2.79
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide
CID 155461974
methyl 3-[3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]propanoate
CID 155457970
2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 155461968
N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine
CID 155462027
2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide
CID 134242529
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-[(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
5-[1-(4,4-difluorocyclohexanecarbonyl)-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134229295

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide?
The IUPAC name of (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide (CID 155462055) is (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide is C/N=C/c1ccc([C@H]2C[C@@H](C)CN(C(N)=O)C2)c2cccnc12.
What is the InChIKey of (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide?
The InChIKey is WYBMEXLNZXHEDW-GAZDNGNESA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-8-14(11-22(10-12)18(19)23)15-6-5-13(9-20-2)17-16(15)4-3-7-21-17/h3-7,9,12,14H,8,10-11H2,1-2H3,(H2,19,23)/b20-9+/t12-,14+/m1/s1.
What are the key properties of (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide?
(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 155462055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).