N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

C18H24ClN5O2 — CID 120644607

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C18H23N5O2.ClH/c1-23-18(20-16(22-23)12-6-8-19-9-7-12)21-17(24)14-10-13-4-2-3-5-15(13)25-11-14;/h2-5,12,14,19H,6-11H2,1H3,(H,20,21,22,24);1H
InChIKeyUIQPFVURAQSZSO-UHFFFAOYSA-N
MW377.88 g/mol
LogP1.89
Rot. Bonds3

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 120644607) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID120644607
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C18H23N5O2.ClH/c1-23-18(20-16(22-23)12-6-8-19-9-7-12)21-17(24)14-10-13-4-2-3-5-15(13)25-11-14;/h2-5,12,14,19H,6-11H2,1H3,(H,20,21,22,24);1H
InChIKeyUIQPFVURAQSZSO-UHFFFAOYSA-N
XLogP1.89
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexanecarboxamide;hydrochloride
CID 120641896
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide
CID 120642628
5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120645055
1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120644621
5-chloro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 120643334
1-(2,3-dimethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120644683
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120642991
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
5-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120644464
5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120645092

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 120644607) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is UIQPFVURAQSZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.ClH/c1-23-18(20-16(22-23)12-6-8-19-9-7-12)21-17(24)14-10-13-4-2-3-5-15(13)25-11-14;/h2-5,12,14,19H,6-11H2,1H3,(H,20,21,22,24);1H.
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 377.88 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120644607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).