4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine

C20H26N6O — CID 70780562

IUPAC4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESCOc1ccc(CCCn2ccnc2-c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C20H26N6O/c1-27-18-6-4-16(5-7-18)3-2-13-25-14-12-22-20(25)19-15-26(24-23-19)17-8-10-21-11-9-17/h4-7,12,14-15,17,21H,2-3,8-11,13H2,1H3
InChIKeyMSVHDWLRDATGRO-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.71
Rot. Bonds7

About 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine

4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine (PubChem CID 70780562) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
PubChem CID70780562
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESCOc1ccc(CCCn2ccnc2-c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C20H26N6O/c1-27-18-6-4-16(5-7-18)3-2-13-25-14-12-22-20(25)19-15-26(24-23-19)17-8-10-21-11-9-17/h4-7,12,14-15,17,21H,2-3,8-11,13H2,1H3
InChIKeyMSVHDWLRDATGRO-UHFFFAOYSA-N
XLogP2.71
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
CID 154896560
3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
CID 154896627
N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119739216
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680469
4-[4-[1-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 97143465
4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70707181
2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
CID 154896676
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 60546601
(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 154898704
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine?
The IUPAC name of 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine (CID 70780562) is 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine is COc1ccc(CCCn2ccnc2-c2cn(C3CCNCC3)nn2)cc1.
What is the InChIKey of 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine?
The InChIKey is MSVHDWLRDATGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-27-18-6-4-16(5-7-18)3-2-13-25-14-12-22-20(25)19-15-26(24-23-19)17-8-10-21-11-9-17/h4-7,12,14-15,17,21H,2-3,8-11,13H2,1H3.
What are the key properties of 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine?
4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine has a molecular weight of 366.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine is sourced from PubChem (CID 70780562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).