2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide

C25H35N5O — CID 155461968

IUPAC2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESC/N=C/c1ccc([C@H]2C[C@@H](C)CN(CC(=O)NC3CCN(C)CC3)C2)c2cccnc12
InChIInChI=1S/C25H35N5O/c1-18-13-20(22-7-6-19(14-26-2)25-23(22)5-4-10-27-25)16-30(15-18)17-24(31)28-21-8-11-29(3)12-9-21/h4-7,10,14,18,20-21H,8-9,11-13,15-17H2,1-3H3,(H,28,31)/b26-14+/t18-,20+/m1/s1
InChIKeyLYIJNEUPSSPCQC-GHHHACQDSA-N
MW421.59 g/mol
LogP2.92
Rot. Bonds5

About 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide

2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 155461968) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID155461968
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESC/N=C/c1ccc([C@H]2C[C@@H](C)CN(CC(=O)NC3CCN(C)CC3)C2)c2cccnc12
InChIInChI=1S/C25H35N5O/c1-18-13-20(22-7-6-19(14-26-2)25-23(22)5-4-10-27-25)16-30(15-18)17-24(31)28-21-8-11-29(3)12-9-21/h4-7,10,14,18,20-21H,8-9,11-13,15-17H2,1-3H3,(H,28,31)/b26-14+/t18-,20+/m1/s1
InChIKeyLYIJNEUPSSPCQC-GHHHACQDSA-N
XLogP2.92
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 134229268
methyl 3-[3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]propanoate
CID 155457970
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
(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide
CID 134237261
2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241135
3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
CID 134237253
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
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
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide (CID 155461968) is 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide is C/N=C/c1ccc([C@H]2C[C@@H](C)CN(CC(=O)NC3CCN(C)CC3)C2)c2cccnc12.
What is the InChIKey of 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is LYIJNEUPSSPCQC-GHHHACQDSA-N. The full InChI is InChI=1S/C25H35N5O/c1-18-13-20(22-7-6-19(14-26-2)25-23(22)5-4-10-27-25)16-30(15-18)17-24(31)28-21-8-11-29(3)12-9-21/h4-7,10,14,18,20-21H,8-9,11-13,15-17H2,1-3H3,(H,28,31)/b26-14+/t18-,20+/m1/s1.
What are the key properties of 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 421.59 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 155461968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).