N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H23Cl2N5O2 — CID 119746221

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCOc3c(Cl)cccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H22ClN5O2.ClH/c1-11-16(22-23-24(11)12-5-8-20-9-6-12)18(25)21-15-7-10-26-17-13(15)3-2-4-14(17)19;/h2-4,12,15,20H,5-10H2,1H3,(H,21,25);1H
InChIKeyUDDULJSIJDAART-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.84
Rot. Bonds3

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119746221) has the molecular formula C18H23Cl2N5O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119746221
Molecular FormulaC18H23Cl2N5O2
Molecular Weight412.32 g/mol
Exact Mass411.12
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCOc3c(Cl)cccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H22ClN5O2.ClH/c1-11-16(22-23-24(11)12-5-8-20-9-6-12)18(25)21-15-7-10-26-17-13(15)3-2-4-14(17)19;/h2-4,12,15,20H,5-10H2,1H3,(H,21,25);1H
InChIKeyUDDULJSIJDAART-UHFFFAOYSA-N
XLogP2.84
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746646
5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 102553434
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822533
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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119684778
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119707327
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylazetidine-3-carboxamide
CID 128874525
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119746221) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCOc3c(Cl)cccc32)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is UDDULJSIJDAART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2.ClH/c1-11-16(22-23-24(11)12-5-8-20-9-6-12)18(25)21-15-7-10-26-17-13(15)3-2-4-14(17)19;/h2-4,12,15,20H,5-10H2,1H3,(H,21,25);1H.
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 412.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119746221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).