[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone

C23H27N5O3 — CID 91556055

IUPAC[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)nc2-c2ccc(OCCN)cc2)cc1
InChIInChI=1S/C23H27N5O3/c1-30-19-11-7-18(8-12-19)28-22(17-5-9-20(10-6-17)31-16-13-24)25-21(26-28)23(29)27-14-3-2-4-15-27/h5-12H,2-4,13-16,24H2,1H3
InChIKeyYOGVNXPAZRUKPB-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.91
Rot. Bonds7

About [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone

[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 91556055) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
PubChem CID91556055
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)nc2-c2ccc(OCCN)cc2)cc1
InChIInChI=1S/C23H27N5O3/c1-30-19-11-7-18(8-12-19)28-22(17-5-9-20(10-6-17)31-16-13-24)25-21(26-28)23(29)27-14-3-2-4-15-27/h5-12H,2-4,13-16,24H2,1H3
InChIKeyYOGVNXPAZRUKPB-UHFFFAOYSA-N
XLogP2.91
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91238533
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918131
1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
CID 17052419
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-cyclopropylmethanone
CID 58806793
2-[4-[5-methoxy-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10022837
2-[4-[5-(2-ethoxyethoxy)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethanamine
CID 142920114
[5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 21090864

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone (CID 91556055) is [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCCCC3)nc2-c2ccc(OCCN)cc2)cc1.
What is the InChIKey of [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is YOGVNXPAZRUKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-30-19-11-7-18(8-12-19)28-22(17-5-9-20(10-6-17)31-16-13-24)25-21(26-28)23(29)27-14-3-2-4-15-27/h5-12H,2-4,13-16,24H2,1H3.
What are the key properties of [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone?
[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 421.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91556055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).