(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C19H20N4O2 — CID 119064875

IUPAC(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(n3cnnc3)CC2)c2ccccc12
InChIInChI=1S/C19H20N4O2/c1-25-18-7-6-17(15-4-2-3-5-16(15)18)19(24)22-10-8-14(9-11-22)23-12-20-21-13-23/h2-7,12-14H,8-11H2,1H3
InChIKeyMXVZYHUKOPFNLF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.92
Rot. Bonds3

About (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 119064875) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID119064875
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(n3cnnc3)CC2)c2ccccc12
InChIInChI=1S/C19H20N4O2/c1-25-18-7-6-17(15-4-2-3-5-16(15)18)19(24)22-10-8-14(9-11-22)23-12-20-21-13-23/h2-7,12-14H,8-11H2,1H3
InChIKeyMXVZYHUKOPFNLF-UHFFFAOYSA-N
XLogP2.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
(4-methoxynaphthalen-1-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35898021
[2-(3-aminopropoxy)-5-methoxyphenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 118777830
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
(2-methoxypyrimidin-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119059010
(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid
CID 97338752
1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 47017719
[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90616897
2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045464
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25495590
(5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119074993

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 119064875) is (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(n3cnnc3)CC2)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is MXVZYHUKOPFNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-18-7-6-17(15-4-2-3-5-16(15)18)19(24)22-10-8-14(9-11-22)23-12-20-21-13-23/h2-7,12-14H,8-11H2,1H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119064875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).