6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline

C23H30N6 — CID 126454219

IUPAC6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
SMILESCn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C23H30N6/c1-27-22(17-28-11-2-3-12-28)25-26-23(27)20-7-5-13-29(16-20)15-18-8-9-21-19(14-18)6-4-10-24-21/h4,6,8-10,14,20H,2-3,5,7,11-13,15-17H2,1H3/t20-/m1/s1
InChIKeyJHBFVBJWYWRJOE-HXUWFJFHSA-N
MW390.54 g/mol
LogP3.34
Rot. Bonds5

About 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline

6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline (PubChem CID 126454219) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
PubChem CID126454219
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
SMILESCn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C23H30N6/c1-27-22(17-28-11-2-3-12-28)25-26-23(27)20-7-5-13-29(16-20)15-18-8-9-21-19(14-18)6-4-10-24-21/h4,6,8-10,14,20H,2-3,5,7,11-13,15-17H2,1H3/t20-/m1/s1
InChIKeyJHBFVBJWYWRJOE-HXUWFJFHSA-N
XLogP3.34
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline with MolForge

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Related Compounds

6-[[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 119075050
(3S)-1-[(4-chlorophenyl)methyl]-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95867076
(3R)-1-[(4-methylphenyl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95874323
(3R)-1-[(3-fluorophenyl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95895747
3-[[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 95870165
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885
2-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70756476
(3R)-1-(1-benzofuran-2-ylmethyl)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 126431888
1-(furan-3-ylmethyl)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 119061305
3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-phenylethyl)piperidine
CID 70727688
1-[[5-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126426589
1-[(2,5-dimethylphenyl)methyl]-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70752058

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline (CID 126454219) is 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline is Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1.
What is the InChIKey of 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline?
The InChIKey is JHBFVBJWYWRJOE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N6/c1-27-22(17-28-11-2-3-12-28)25-26-23(27)20-7-5-13-29(16-20)15-18-8-9-21-19(14-18)6-4-10-24-21/h4,6,8-10,14,20H,2-3,5,7,11-13,15-17H2,1H3/t20-/m1/s1.
What are the key properties of 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline?
6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline has a molecular weight of 390.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 126454219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).