N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide

C12H21N5O — CID 47252889

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H21N5O/c1-3-16-9-14-15-11(16)8-13-12(18)17-6-4-10(2)5-7-17/h9-10H,3-8H2,1-2H3,(H,13,18)
InChIKeyAAQKUMAYVGJVKF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds3

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 47252889) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
PubChem CID47252889
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H21N5O/c1-3-16-9-14-15-11(16)8-13-12(18)17-6-4-10(2)5-7-17/h9-10H,3-8H2,1-2H3,(H,13,18)
InChIKeyAAQKUMAYVGJVKF-UHFFFAOYSA-N
XLogP1.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 45829864
3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 46997513
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylbutan-2-yl)urea
CID 47218838
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 47252995
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 47253016
4-ethyl-5-(4-piperidinyl)-2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50952670
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
1-[3-(4-Ethylpiperazin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53503175
4-(azepan-1-ylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 53505211
1-(3-Methylbutyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53505222

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide (CID 47252889) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCC(C)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is AAQKUMAYVGJVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-16-9-14-15-11(16)8-13-12(18)17-6-4-10(2)5-7-17/h9-10H,3-8H2,1-2H3,(H,13,18).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 47252889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).