N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide

C21H33N5O — CID 119730839

IUPACN-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)nnn1C1CCNCC1
InChIInChI=1S/C21H33N5O/c1-14-19(23-24-26(14)18-3-5-22-6-4-18)20(27)25(2)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-18,22H,3-13H2,1-2H3
InChIKeyORYLYHKQTRYLSY-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.80
Rot. Bonds4

About N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide

N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119730839) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119730839
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC NameN-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)nnn1C1CCNCC1
InChIInChI=1S/C21H33N5O/c1-14-19(23-24-26(14)18-3-5-22-6-4-18)20(27)25(2)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-18,22H,3-13H2,1-2H3
InChIKeyORYLYHKQTRYLSY-UHFFFAOYSA-N
XLogP2.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119730839) is N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)nnn1C1CCNCC1.
What is the InChIKey of N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is ORYLYHKQTRYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-14-19(23-24-26(14)18-3-5-22-6-4-18)20(27)25(2)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-18,22H,3-13H2,1-2H3.
What are the key properties of N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119730839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).