(4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

C21H22N4O2 — CID 162636120

IUPAC(4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESCOC1(c2ccccc2)CCN(C(=O)c2ccc(-c3ncn[nH]3)cc2)CC1
InChIInChI=1S/C21H22N4O2/c1-27-21(18-5-3-2-4-6-18)11-13-25(14-12-21)20(26)17-9-7-16(8-10-17)19-22-15-23-24-19/h2-10,15H,11-14H2,1H3,(H,22,23,24)
InChIKeyZBNAZODYUATITH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.25
Rot. Bonds4

About (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

(4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (PubChem CID 162636120) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
PubChem CID162636120
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESCOC1(c2ccccc2)CCN(C(=O)c2ccc(-c3ncn[nH]3)cc2)CC1
InChIInChI=1S/C21H22N4O2/c1-27-21(18-5-3-2-4-6-18)11-13-25(14-12-21)20(26)17-9-7-16(8-10-17)19-22-15-23-24-19/h2-10,15H,11-14H2,1H3,(H,22,23,24)
InChIKeyZBNAZODYUATITH-UHFFFAOYSA-N
XLogP3.25
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
4-(1H-1,2,4-triazol-5-yl)benzoic acid
CID 6484109
9-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56916764
(4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104898
3-[(dimethylamino)methyl]-8-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172657954
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70753335
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
2-methoxy-1-[11-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]ethanone
CID 133068394
[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
CID 71133933
[(3R,4S)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 72932794
[(3S)-3-(dimethylamino)azepan-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70752814
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The IUPAC name of (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (CID 162636120) is (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The canonical SMILES for (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is COC1(c2ccccc2)CCN(C(=O)c2ccc(-c3ncn[nH]3)cc2)CC1.
What is the InChIKey of (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The InChIKey is ZBNAZODYUATITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-21(18-5-3-2-4-6-18)11-13-25(14-12-21)20(26)17-9-7-16(8-10-17)19-22-15-23-24-19/h2-10,15H,11-14H2,1H3,(H,22,23,24).
What are the key properties of (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
(4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is sourced from PubChem (CID 162636120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).