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

C21H28ClN5O3 — CID 119699792

IUPAC(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cn(C4CCNCC4)nn3)CC2)cc1.Cl
InChIInChI=1S/C21H27N5O3.ClH/c1-29-18-4-2-15(3-5-18)20(27)16-8-12-25(13-9-16)21(28)19-14-26(24-23-19)17-6-10-22-11-7-17;/h2-5,14,16-17,22H,6-13H2,1H3;1H
InChIKeyKNCWIOSCPBSTQY-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.37
Rot. Bonds5

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

(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 119699792) has the molecular formula C21H28ClN5O3 and a molecular weight of 433.94 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID119699792
Molecular FormulaC21H28ClN5O3
Molecular Weight433.94 g/mol
Exact Mass433.19
IUPAC Name(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cn(C4CCNCC4)nn3)CC2)cc1.Cl
InChIInChI=1S/C21H27N5O3.ClH/c1-29-18-4-2-15(3-5-18)20(27)16-8-12-25(13-9-16)21(28)19-14-26(24-23-19)17-6-10-22-11-7-17;/h2-5,14,16-17,22H,6-13H2,1H3;1H
InChIKeyKNCWIOSCPBSTQY-UHFFFAOYSA-N
XLogP2.37
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119727463
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
3-(4-methoxyphenyl)-1-[4-[4-(piperidine-1-carbonyl)triazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74441833
(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
N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680469
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
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-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride (CID 119699792) is (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride is COc1ccc(C(=O)C2CCN(C(=O)c3cn(C4CCNCC4)nn3)CC2)cc1.Cl.
What is the InChIKey of (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is KNCWIOSCPBSTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3.ClH/c1-29-18-4-2-15(3-5-18)20(27)16-8-12-25(13-9-16)21(28)19-14-26(24-23-19)17-6-10-22-11-7-17;/h2-5,14,16-17,22H,6-13H2,1H3;1H.
What are the key properties of (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride?
(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119699792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).