N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C15H22N6O2 — CID 70766008

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cn(CCC3CCCCN3)nn2)on1
InChIInChI=1S/C15H22N6O2/c1-11-8-13(23-19-11)9-17-15(22)14-10-21(20-18-14)7-5-12-4-2-3-6-16-12/h8,10,12,16H,2-7,9H2,1H3,(H,17,22)
InChIKeyRFKAETYCXBPURR-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.04
Rot. Bonds6

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70766008) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70766008
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cn(CCC3CCCCN3)nn2)on1
InChIInChI=1S/C15H22N6O2/c1-11-8-13(23-19-11)9-17-15(22)14-10-21(20-18-14)7-5-12-4-2-3-6-16-12/h8,10,12,16H,2-7,9H2,1H3,(H,17,22)
InChIKeyRFKAETYCXBPURR-UHFFFAOYSA-N
XLogP1.04
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
1-(2-piperidin-2-ylethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70727559
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70760529
1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 96582124
N-[3-chloro-4-(ethylcarbamoyl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide;hydrochloride
CID 154912901
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 131950023
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 95875073
3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 96579039

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70766008) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is Cc1cc(CNC(=O)c2cn(CCC3CCCCN3)nn2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is RFKAETYCXBPURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-8-13(23-19-11)9-17-15(22)14-10-21(20-18-14)7-5-12-4-2-3-6-16-12/h8,10,12,16H,2-7,9H2,1H3,(H,17,22).
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70766008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).