N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide

C12H21N5O — CID 114424110

IUPACN,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CC(C)CCN2)n[nH]1
InChIInChI=1S/C12H21N5O/c1-8-4-5-13-10(6-8)12(18)17(3)7-11-14-9(2)15-16-11/h8,10,13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyHYEIKHJRVQZAPV-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.46
Rot. Bonds3

About N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide

N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 114424110) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
PubChem CID114424110
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CC(C)CCN2)n[nH]1
InChIInChI=1S/C12H21N5O/c1-8-4-5-13-10(6-8)12(18)17(3)7-11-14-9(2)15-16-11/h8,10,13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyHYEIKHJRVQZAPV-UHFFFAOYSA-N
XLogP0.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 103814748
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64517474
1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 64510407
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 64519602
N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 114423290
N,4-dimethyl-N-(2-methylsulfanylethyl)piperidine-2-carboxamide
CID 114424449
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 64512005
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 64512398
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422308
N-[2-(2-hydroxyethoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
CID 114243077
N-methoxy-N,4-dimethylpiperidine-2-carboxamide
CID 114423776

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide (CID 114424110) is N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide is Cc1nc(CN(C)C(=O)C2CC(C)CCN2)n[nH]1.
What is the InChIKey of N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is HYEIKHJRVQZAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-4-5-13-10(6-8)12(18)17(3)7-11-14-9(2)15-16-11/h8,10,13H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 114424110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).