N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride

C21H31ClN6O2 — CID 119480050

IUPACN-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1nc(C(=O)N2CCCC(C(=O)NCCN)C2)nn1-c1ccccc1C(C)C.Cl
InChIInChI=1S/C21H30N6O2.ClH/c1-14(2)17-8-4-5-9-18(17)27-15(3)24-19(25-27)21(29)26-12-6-7-16(13-26)20(28)23-11-10-22;/h4-5,8-9,14,16H,6-7,10-13,22H2,1-3H3,(H,23,28);1H
InChIKeyMOCHXABMJWQHNB-UHFFFAOYSA-N
MW434.97 g/mol
LogP2.05
Rot. Bonds6

About N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119480050) has the molecular formula C21H31ClN6O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119480050
Molecular FormulaC21H31ClN6O2
Molecular Weight434.97 g/mol
Exact Mass434.22
IUPAC NameN-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1nc(C(=O)N2CCCC(C(=O)NCCN)C2)nn1-c1ccccc1C(C)C.Cl
InChIInChI=1S/C21H30N6O2.ClH/c1-14(2)17-8-4-5-9-18(17)27-15(3)24-19(25-27)21(29)26-12-6-7-16(13-26)20(28)23-11-10-22;/h4-5,8-9,14,16H,6-7,10-13,22H2,1-3H3,(H,23,28);1H
InChIKeyMOCHXABMJWQHNB-UHFFFAOYSA-N
XLogP2.05
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanone
CID 119649445
N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119480432
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119479456
N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479473
N-(2-aminoethyl)-1-(4-methylquinoline-2-carbonyl)piperidine-3-carboxamide
CID 126791837
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481606
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479488
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride (CID 119480050) is N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride is Cc1nc(C(=O)N2CCCC(C(=O)NCCN)C2)nn1-c1ccccc1C(C)C.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is MOCHXABMJWQHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2.ClH/c1-14(2)17-8-4-5-9-18(17)27-15(3)24-19(25-27)21(29)26-12-6-7-16(13-26)20(28)23-11-10-22;/h4-5,8-9,14,16H,6-7,10-13,22H2,1-3H3,(H,23,28);1H.
What are the key properties of N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 434.97 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119480050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).