(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride

C16H19Cl2N5O — CID 119788759

IUPAC(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1cn(C2CCNCC2)nn1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C16H18ClN5O.ClH/c17-13-2-1-3-15-12(13)6-9-21(15)16(23)14-10-22(20-19-14)11-4-7-18-8-5-11;/h1-3,10-11,18H,4-9H2;1H
InChIKeyQDCOPKHXNODJPW-UHFFFAOYSA-N
MW368.27 g/mol
LogP2.48
Rot. Bonds2

About (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride

(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (PubChem CID 119788759) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
PubChem CID119788759
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC Name(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1cn(C2CCNCC2)nn1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C16H18ClN5O.ClH/c17-13-2-1-3-15-12(13)6-9-21(15)16(23)14-10-22(20-19-14)11-4-7-18-8-5-11;/h1-3,10-11,18H,4-9H2;1H
InChIKeyQDCOPKHXNODJPW-UHFFFAOYSA-N
XLogP2.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
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[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The IUPAC name of (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (CID 119788759) is (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The canonical SMILES for (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is Cl.O=C(c1cn(C2CCNCC2)nn1)N1CCc2c(Cl)cccc21.
What is the InChIKey of (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The InChIKey is QDCOPKHXNODJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O.ClH/c17-13-2-1-3-15-12(13)6-9-21(15)16(23)14-10-22(20-19-14)11-4-7-18-8-5-11;/h1-3,10-11,18H,4-9H2;1H.
What are the key properties of (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride has a molecular weight of 368.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119788759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).