N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine

C22H27N5 — CID 155462027

IUPACN-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine
SMILESC/N=C/c1ccc([C@H]2C[C@@H](C)CN(Cc3cnn(C)c3)C2)c2cccnc12
InChIInChI=1S/C22H27N5/c1-16-9-19(15-27(12-16)14-17-10-25-26(3)13-17)20-7-6-18(11-23-2)22-21(20)5-4-8-24-22/h4-8,10-11,13,16,19H,9,12,14-15H2,1-3H3/b23-11+/t16-,19+/m1/s1
InChIKeyOCBZFONOKXUVFG-QHTAMKFPSA-N
MW361.49 g/mol
LogP3.64
Rot. Bonds4

About N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine

N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine (PubChem CID 155462027) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine
PubChem CID155462027
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine
SMILESC/N=C/c1ccc([C@H]2C[C@@H](C)CN(Cc3cnn(C)c3)C2)c2cccnc12
InChIInChI=1S/C22H27N5/c1-16-9-19(15-27(12-16)14-17-10-25-26(3)13-17)20-7-6-18(11-23-2)22-21(20)5-4-8-24-22/h4-8,10-11,13,16,19H,9,12,14-15H2,1-3H3/b23-11+/t16-,19+/m1/s1
InChIKeyOCBZFONOKXUVFG-QHTAMKFPSA-N
XLogP3.64
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]propanoate
CID 155457970
(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide
CID 155462055
2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 155461968
3-chloro-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 131002547
2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide
CID 134242529
3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
CID 134237253
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide
CID 155461974
2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 134229268
5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134237236
2-[(3S,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 134249531
2-[(3S,5S)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 134249276

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine?
The IUPAC name of N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine (CID 155462027) is N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine.
What is the SMILES notation for N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine?
The canonical SMILES for N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine is C/N=C/c1ccc([C@H]2C[C@@H](C)CN(Cc3cnn(C)c3)C2)c2cccnc12.
What is the InChIKey of N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine?
The InChIKey is OCBZFONOKXUVFG-QHTAMKFPSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-9-19(15-27(12-16)14-17-10-25-26(3)13-17)20-7-6-18(11-23-2)22-21(20)5-4-8-24-22/h4-8,10-11,13,16,19H,9,12,14-15H2,1-3H3/b23-11+/t16-,19+/m1/s1.
What are the key properties of N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine?
N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine has a molecular weight of 361.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(3R,5R)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]quinolin-8-yl]methanimine is sourced from PubChem (CID 155462027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).