N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide

C18H27N5O — CID 121165113

IUPACN-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2nccn2)CC1
InChIInChI=1S/C18H27N5O/c24-17(22-5-1-16(2-6-22)23-19-3-4-20-23)21-18-10-13-7-14(11-18)9-15(8-13)12-18/h3-4,13-16H,1-2,5-12H2,(H,21,24)
InChIKeyZQAGZXVOZXPEET-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.59
Rot. Bonds2

About N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide

N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide (PubChem CID 121165113) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
PubChem CID121165113
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2nccn2)CC1
InChIInChI=1S/C18H27N5O/c24-17(22-5-1-16(2-6-22)23-19-3-4-20-23)21-18-10-13-7-14(11-18)9-15(8-13)12-18/h3-4,13-16H,1-2,5-12H2,(H,21,24)
InChIKeyZQAGZXVOZXPEET-UHFFFAOYSA-N
XLogP2.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((3s,5s,7s)-adamantan-1-yl)-3-(1H-1,2,3-triazol-1-yl)pyrrolidine-1-carboxamide
CID 121151024
N-((3s,5s,7s)-adamantan-1-yl)-4-(1H-1,2,3-triazol-1-yl)piperidine-1-carboxamide
CID 121151381
N-((3s,5s,7s)-adamantan-1-yl)-3-(1H-1,2,3-triazol-1-yl)azetidine-1-carboxamide
CID 121154893
1-((3s,5s,7s)-adamantan-1-yl)-3-(3-methyl-1-(2H-1,2,3-triazol-2-yl)butan-2-yl)urea
CID 121176916
(1R,5S)-N-((3S,5S,7S)-adamantan-1-yl)-3-(2H-1,2,3-triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121178334
N-((3s,5s,7s)-adamantan-1-yl)-3-(2H-1,2,3-triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178787
N-(adamantan-1-yl)-3-(2H-1,2,3-triazol-2-yl)azetidine-1-carboxamide
CID 137967430

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide (CID 121165113) is N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2nccn2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The InChIKey is ZQAGZXVOZXPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c24-17(22-5-1-16(2-6-22)23-19-3-4-20-23)21-18-10-13-7-14(11-18)9-15(8-13)12-18/h3-4,13-16H,1-2,5-12H2,(H,21,24).
What are the key properties of N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121165113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).