phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone

C26H31N5O — CID 10895264

IUPACphenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone
SMILESO=C(c1ccccc1)c1cn(CCCN2CCN(C3CCCc4ccccc43)CC2)nn1
InChIInChI=1S/C26H31N5O/c32-26(22-9-2-1-3-10-22)24-20-31(28-27-24)15-7-14-29-16-18-30(19-17-29)25-13-6-11-21-8-4-5-12-23(21)25/h1-5,8-10,12,20,25H,6-7,11,13-19H2
InChIKeySLWFBMBATJZAGM-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.59
Rot. Bonds7

About phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone

phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone (PubChem CID 10895264) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone
PubChem CID10895264
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Namephenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone
SMILESO=C(c1ccccc1)c1cn(CCCN2CCN(C3CCCc4ccccc43)CC2)nn1
InChIInChI=1S/C26H31N5O/c32-26(22-9-2-1-3-10-22)24-20-31(28-27-24)15-7-14-29-16-18-30(19-17-29)25-13-6-11-21-8-4-5-12-23(21)25/h1-5,8-10,12,20,25H,6-7,11,13-19H2
InChIKeySLWFBMBATJZAGM-UHFFFAOYSA-N
XLogP3.59
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461
4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide
CID 10597541
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]triazole-4-carboxylic acid
CID 43151042
phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone
CID 11048500
4-chloro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10046389
4-fluoro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10474964
phenyl-[1-(11-sulfanylundecyl)triazol-4-yl]methanone
CID 102165093
2-[2-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 10548389
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102
3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15312826

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone?
The IUPAC name of phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone (CID 10895264) is phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone.
What is the SMILES notation for phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone?
The canonical SMILES for phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone is O=C(c1ccccc1)c1cn(CCCN2CCN(C3CCCc4ccccc43)CC2)nn1.
What is the InChIKey of phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone?
The InChIKey is SLWFBMBATJZAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c32-26(22-9-2-1-3-10-22)24-20-31(28-27-24)15-7-14-29-16-18-30(19-17-29)25-13-6-11-21-8-4-5-12-23(21)25/h1-5,8-10,12,20,25H,6-7,11,13-19H2.
What are the key properties of phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone?
phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone has a molecular weight of 429.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]triazol-4-yl]methanone is sourced from PubChem (CID 10895264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).