N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

C12H21N5O — CID 113400510

IUPACN-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCC1(C)CCNCC1)n1cncn1
InChIInChI=1S/C12H21N5O/c1-10(17-9-14-8-16-17)11(18)15-7-12(2)3-5-13-6-4-12/h8-10,13H,3-7H2,1-2H3,(H,15,18)
InChIKeySJLGQBLZQPXVFP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.34
Rot. Bonds4

About N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 113400510) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID113400510
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCC1(C)CCNCC1)n1cncn1
InChIInChI=1S/C12H21N5O/c1-10(17-9-14-8-16-17)11(18)15-7-12(2)3-5-13-6-4-12/h8-10,13H,3-7H2,1-2H3,(H,15,18)
InChIKeySJLGQBLZQPXVFP-UHFFFAOYSA-N
XLogP0.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95308719
N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 113435046
(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 94069814
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
(2S)-N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97064288
2-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43619101
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 113400510) is N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCC1(C)CCNCC1)n1cncn1.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SJLGQBLZQPXVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(17-9-14-8-16-17)11(18)15-7-12(2)3-5-13-6-4-12/h8-10,13H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 113400510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).