1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride

C21H29ClN6O2 — CID 120644621

IUPAC1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C21H28N6O2.ClH/c1-26-21(23-18(25-26)15-9-11-22-12-10-15)24-19(28)17-8-5-13-27(14-17)20(29)16-6-3-2-4-7-16;/h2-4,6-7,15,17,22H,5,8-14H2,1H3,(H,23,24,25,28);1H
InChIKeyIFNXIEWQVGPURH-UHFFFAOYSA-N
MW432.96 g/mol
LogP2.19
Rot. Bonds4

About 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride

1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120644621) has the molecular formula C21H29ClN6O2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID120644621
Molecular FormulaC21H29ClN6O2
Molecular Weight432.96 g/mol
Exact Mass432.20
IUPAC Name1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C21H28N6O2.ClH/c1-26-21(23-18(25-26)15-9-11-22-12-10-15)24-19(28)17-8-5-13-27(14-17)20(29)16-6-3-2-4-7-16;/h2-4,6-7,15,17,22H,5,8-14H2,1H3,(H,23,24,25,28);1H
InChIKeyIFNXIEWQVGPURH-UHFFFAOYSA-N
XLogP2.19
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

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CID 119453805
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CID 98914630
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
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1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120577067
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CID 136524433
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide
CID 119516397
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
N-(6-amino-1,3-benzodioxol-5-yl)-1-benzoylpiperidine-3-carboxamide;hydrochloride
CID 119618964
4-(difluoromethylsulfanyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643906

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride (CID 120644621) is 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is IFNXIEWQVGPURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2.ClH/c1-26-21(23-18(25-26)15-9-11-22-12-10-15)24-19(28)17-8-5-13-27(14-17)20(29)16-6-3-2-4-7-16;/h2-4,6-7,15,17,22H,5,8-14H2,1H3,(H,23,24,25,28);1H.
What are the key properties of 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride?
1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 432.96 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120644621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).