2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C18H27N5O — CID 131932842

IUPAC2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCCCn1nc(CCOC)nc1C1CCCN(c2ccccn2)C1
InChIInChI=1S/C18H27N5O/c1-3-11-23-18(20-16(21-23)9-13-24-2)15-7-6-12-22(14-15)17-8-4-5-10-19-17/h4-5,8,10,15H,3,6-7,9,11-14H2,1-2H3
InChIKeyJCCCAIGNVOYJNY-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.66
Rot. Bonds7

About 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 131932842) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID131932842
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCCCn1nc(CCOC)nc1C1CCCN(c2ccccn2)C1
InChIInChI=1S/C18H27N5O/c1-3-11-23-18(20-16(21-23)9-13-24-2)15-7-6-12-22(14-15)17-8-4-5-10-19-17/h4-5,8,10,15H,3,6-7,9,11-14H2,1-2H3
InChIKeyJCCCAIGNVOYJNY-UHFFFAOYSA-N
XLogP2.66
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
CID 122602482
N-methyl-1-(1-pyridin-2-ylpiperidin-3-yl)ethanamine
CID 63853005
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
CID 133448541
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
3-(2-methoxyethyl)-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 154583132
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97128849
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 51108750
2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 131932842) is 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is CCCn1nc(CCOC)nc1C1CCCN(c2ccccn2)C1.
What is the InChIKey of 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is JCCCAIGNVOYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-11-23-18(20-16(21-23)9-13-24-2)15-7-6-12-22(14-15)17-8-4-5-10-19-17/h4-5,8,10,15H,3,6-7,9,11-14H2,1-2H3.
What are the key properties of 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 329.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-methoxyethyl)-2-propyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 131932842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).