N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H28ClN5O3 — CID 119743239

IUPACN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(OCC2CCCO2)c1.Cl
InChIInChI=1S/C20H27N5O3.ClH/c1-14-4-5-17(19(11-14)28-13-16-3-2-10-27-16)22-20(26)18-12-25(24-23-18)15-6-8-21-9-7-15;/h4-5,11-12,15-16,21H,2-3,6-10,13H2,1H3,(H,22,26);1H
InChIKeyHNAXPSZNHCNXFL-UHFFFAOYSA-N
MW421.93 g/mol
LogP2.74
Rot. Bonds6

About N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119743239) has the molecular formula C20H28ClN5O3 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119743239
Molecular FormulaC20H28ClN5O3
Molecular Weight421.93 g/mol
Exact Mass421.19
IUPAC NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(OCC2CCCO2)c1.Cl
InChIInChI=1S/C20H27N5O3.ClH/c1-14-4-5-17(19(11-14)28-13-16-3-2-10-27-16)22-20(26)18-12-25(24-23-18)15-6-8-21-9-7-15;/h4-5,11-12,15-16,21H,2-3,6-10,13H2,1H3,(H,22,26);1H
InChIKeyHNAXPSZNHCNXFL-UHFFFAOYSA-N
XLogP2.74
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119726785
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119892331
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182039
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119743239) is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(OCC2CCCO2)c1.Cl.
What is the InChIKey of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is HNAXPSZNHCNXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3.ClH/c1-14-4-5-17(19(11-14)28-13-16-3-2-10-27-16)22-20(26)18-12-25(24-23-18)15-6-8-21-9-7-15;/h4-5,11-12,15-16,21H,2-3,6-10,13H2,1H3,(H,22,26);1H.
What are the key properties of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 421.93 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119743239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).