N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide

C13H22N6O2 — CID 70740517

IUPACN-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)CCc2nc(N)n[nH]2)CC1
InChIInChI=1S/C13H22N6O2/c1-9(20)15-8-10-4-6-19(7-5-10)12(21)3-2-11-16-13(14)18-17-11/h10H,2-8H2,1H3,(H,15,20)(H3,14,16,17,18)
InChIKeyHHFAAIQNAJPLOF-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.31
Rot. Bonds5

About N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 70740517) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide
PubChem CID70740517
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)CCc2nc(N)n[nH]2)CC1
InChIInChI=1S/C13H22N6O2/c1-9(20)15-8-10-4-6-19(7-5-10)12(21)3-2-11-16-13(14)18-17-11/h10H,2-8H2,1H3,(H,15,20)(H3,14,16,17,18)
InChIKeyHHFAAIQNAJPLOF-UHFFFAOYSA-N
XLogP-0.31
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

3-(3-amino-1H-1,2,4-triazol-5-yl)-1-piperazin-1-ylpropan-1-one
CID 82509691
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide
CID 162637259
N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
CID 102737035
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72925930
4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
CID 72912652
1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-one
CID 72871364
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807019
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
1'-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70766222
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide (CID 70740517) is N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)CCc2nc(N)n[nH]2)CC1.
What is the InChIKey of N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is HHFAAIQNAJPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-9(20)15-8-10-4-6-19(7-5-10)12(21)3-2-11-16-13(14)18-17-11/h10H,2-8H2,1H3,(H,15,20)(H3,14,16,17,18).
What are the key properties of N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 294.36 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(3-amino-1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70740517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).