N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H23Cl2N5O — CID 119746646

IUPACN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCc3c(Cl)cccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H22ClN5O.ClH/c1-11-17(22-23-24(11)12-7-9-20-10-8-12)18(25)21-16-6-5-13-14(16)3-2-4-15(13)19;/h2-4,12,16,20H,5-10H2,1H3,(H,21,25);1H
InChIKeyJLXFTPOEGDZIEP-UHFFFAOYSA-N
MW396.32 g/mol
LogP3.00
Rot. Bonds3

About N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119746646) has the molecular formula C18H23Cl2N5O and a molecular weight of 396.32 g/mol. Its IUPAC name is N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119746646
Molecular FormulaC18H23Cl2N5O
Molecular Weight396.32 g/mol
Exact Mass395.13
IUPAC NameN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCc3c(Cl)cccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H22ClN5O.ClH/c1-11-17(22-23-24(11)12-7-9-20-10-8-12)18(25)21-16-6-5-13-14(16)3-2-4-15(13)19;/h2-4,12,16,20H,5-10H2,1H3,(H,21,25);1H
InChIKeyJLXFTPOEGDZIEP-UHFFFAOYSA-N
XLogP3.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 102553434
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746221
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
5-methyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124689134
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822533
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119707327
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119899491
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119810301
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119746646) is N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCc3c(Cl)cccc32)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is JLXFTPOEGDZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O.ClH/c1-11-17(22-23-24(11)12-7-9-20-10-8-12)18(25)21-16-6-5-13-14(16)3-2-4-15(13)19;/h2-4,12,16,20H,5-10H2,1H3,(H,21,25);1H.
What are the key properties of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 396.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119746646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).