(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

C20H27ClN6O3 — CID 119727463

IUPAC(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3cn(C4CCNCC4)nn3)CC2)c1.Cl
InChIInChI=1S/C20H26N6O3.ClH/c1-29-17-4-2-3-15(13-17)19(27)24-9-11-25(12-10-24)20(28)18-14-26(23-22-18)16-5-7-21-8-6-16;/h2-4,13-14,16,21H,5-12H2,1H3;1H
InChIKeyNGHALIGVANNJLF-UHFFFAOYSA-N
MW434.93 g/mol
LogP1.23
Rot. Bonds4

About (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119727463) has the molecular formula C20H27ClN6O3 and a molecular weight of 434.93 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119727463
Molecular FormulaC20H27ClN6O3
Molecular Weight434.93 g/mol
Exact Mass434.18
IUPAC Name(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3cn(C4CCNCC4)nn3)CC2)c1.Cl
InChIInChI=1S/C20H26N6O3.ClH/c1-29-17-4-2-3-15(13-17)19(27)24-9-11-25(12-10-24)20(28)18-14-26(23-22-18)16-5-7-21-8-6-16;/h2-4,13-14,16,21H,5-12H2,1H3;1H
InChIKeyNGHALIGVANNJLF-UHFFFAOYSA-N
XLogP1.23
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119699792
N-(3-methylphenyl)-4-(1-piperidin-4-yltriazole-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 119765327
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
[4-(2,5-difluorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119887866
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119832564
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843532

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119727463) is (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is COc1cccc(C(=O)N2CCN(C(=O)c3cn(C4CCNCC4)nn3)CC2)c1.Cl.
What is the InChIKey of (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is NGHALIGVANNJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3.ClH/c1-29-17-4-2-3-15(13-17)19(27)24-9-11-25(12-10-24)20(28)18-14-26(23-22-18)16-5-7-21-8-6-16;/h2-4,13-14,16,21H,5-12H2,1H3;1H.
What are the key properties of (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 434.93 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119727463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).