1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine

C19H26N4O — CID 77086173

IUPAC1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1cc(CN2CCCC(c3ncn[nH]3)C2)cc(OC2CCCC2)c1
InChIInChI=1S/C19H26N4O/c1-2-8-17(7-1)24-18-9-3-5-15(11-18)12-23-10-4-6-16(13-23)19-20-14-21-22-19/h3,5,9,11,14,16-17H,1-2,4,6-8,10,12-13H2,(H,20,21,22)
InChIKeyBDHVQGKNDWWYSY-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.51
Rot. Bonds5

About 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine

1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 77086173) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID77086173
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1cc(CN2CCCC(c3ncn[nH]3)C2)cc(OC2CCCC2)c1
InChIInChI=1S/C19H26N4O/c1-2-8-17(7-1)24-18-9-3-5-15(11-18)12-23-10-4-6-16(13-23)19-20-14-21-22-19/h3,5,9,11,14,16-17H,1-2,4,6-8,10,12-13H2,(H,20,21,22)
InChIKeyBDHVQGKNDWWYSY-UHFFFAOYSA-N
XLogP3.51
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77085937
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
2-[4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99930607
(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 99959391
(3S)-1-[(5-phenylthiophen-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99930268
1-[[2-fluoro-6-(trifluoromethoxy)phenyl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 122140155
N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 124861052
(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99946181
7-[(3-cyclopentyloxyphenyl)methyl]-3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95834003
1-ethyl-4-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 131931905
N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 92577230

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine (CID 77086173) is 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine is c1cc(CN2CCCC(c3ncn[nH]3)C2)cc(OC2CCCC2)c1.
What is the InChIKey of 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is BDHVQGKNDWWYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-8-17(7-1)24-18-9-3-5-15(11-18)12-23-10-4-6-16(13-23)19-20-14-21-22-19/h3,5,9,11,14,16-17H,1-2,4,6-8,10,12-13H2,(H,20,21,22).
What are the key properties of 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 326.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 77086173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).