N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride

C19H28ClN5O — CID 171671163

IUPACN,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C2CCN(C(C)C)CC2)nnn1-c1ccccc1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-14(2)23-12-10-16(11-13-23)22(4)19(25)18-15(3)24(21-20-18)17-8-6-5-7-9-17;/h5-9,14,16H,10-13H2,1-4H3;1H
InChIKeyKNDISFRIOOKUOL-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.94
Rot. Bonds4

About N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride

N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride (PubChem CID 171671163) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride
PubChem CID171671163
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC NameN,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C2CCN(C(C)C)CC2)nnn1-c1ccccc1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-14(2)23-12-10-16(11-13-23)22(4)19(25)18-15(3)24(21-20-18)17-8-6-5-7-9-17;/h5-9,14,16H,10-13H2,1-4H3;1H
InChIKeyKNDISFRIOOKUOL-UHFFFAOYSA-N
XLogP2.94
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride (CID 171671163) is N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride is Cc1c(C(=O)N(C)C2CCN(C(C)C)CC2)nnn1-c1ccccc1.Cl.
What is the InChIKey of N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride?
The InChIKey is KNDISFRIOOKUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-14(2)23-12-10-16(11-13-23)22(4)19(25)18-15(3)24(21-20-18)17-8-6-5-7-9-17;/h5-9,14,16H,10-13H2,1-4H3;1H.
What are the key properties of N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride?
N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 171671163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).