N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C16H30ClN5O2 — CID 119793056

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(O)CC(C)(C)C)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H29N5O2.ClH/c1-11-14(15(23)18-10-13(22)9-16(2,3)4)19-20-21(11)12-5-7-17-8-6-12;/h12-13,17,22H,5-10H2,1-4H3,(H,18,23);1H
InChIKeyXHSSSILORVBDTN-UHFFFAOYSA-N
MW359.90 g/mol
LogP1.46
Rot. Bonds5

About N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119793056) has the molecular formula C16H30ClN5O2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119793056
Molecular FormulaC16H30ClN5O2
Molecular Weight359.90 g/mol
Exact Mass359.21
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(O)CC(C)(C)C)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H29N5O2.ClH/c1-11-14(15(23)18-10-13(22)9-16(2,3)4)19-20-21(11)12-5-7-17-8-6-12;/h12-13,17,22H,5-10H2,1-4H3,(H,18,23);1H
InChIKeyXHSSSILORVBDTN-UHFFFAOYSA-N
XLogP1.46
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119793056) is N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCC(O)CC(C)(C)C)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XHSSSILORVBDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2.ClH/c1-11-14(15(23)18-10-13(22)9-16(2,3)4)19-20-21(11)12-5-7-17-8-6-12;/h12-13,17,22H,5-10H2,1-4H3,(H,18,23);1H.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119793056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).