N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C21H30ClN5O2 — CID 119764333

IUPACN-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(N(C(=O)c2nnn(C3CCNCC3)c2C)C(C)C2CC2)cc1.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-14(16-4-5-16)25(17-6-8-19(28-3)9-7-17)21(27)20-15(2)26(24-23-20)18-10-12-22-13-11-18;/h6-9,14,16,18,22H,4-5,10-13H2,1-3H3;1H
InChIKeyQJDFLCAEKDPBMH-UHFFFAOYSA-N
MW419.96 g/mol
LogP3.39
Rot. Bonds6

About N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119764333) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119764333
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC NameN-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(N(C(=O)c2nnn(C3CCNCC3)c2C)C(C)C2CC2)cc1.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-14(16-4-5-16)25(17-6-8-19(28-3)9-7-17)21(27)20-15(2)26(24-23-20)18-10-12-22-13-11-18;/h6-9,14,16,18,22H,4-5,10-13H2,1-3H3;1H
InChIKeyQJDFLCAEKDPBMH-UHFFFAOYSA-N
XLogP3.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728865
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146
N-cyclopropyl-5-methyl-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide;hydrochloride
CID 119728041
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119691786
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766858
N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119807677
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669334
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822595
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119816303
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119312384
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 122136174

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119764333) is N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1ccc(N(C(=O)c2nnn(C3CCNCC3)c2C)C(C)C2CC2)cc1.Cl.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is QJDFLCAEKDPBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.ClH/c1-14(16-4-5-16)25(17-6-8-19(28-3)9-7-17)21(27)20-15(2)26(24-23-20)18-10-12-22-13-11-18;/h6-9,14,16,18,22H,4-5,10-13H2,1-3H3;1H.
What are the key properties of N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 419.96 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).