acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide

C14H25N5O3 — CID 154907389

IUPACacetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC(=O)O.CC1(NC(=O)CCCn2cncn2)CCNCC1
InChIInChI=1S/C12H21N5O.C2H4O2/c1-12(4-6-13-7-5-12)16-11(18)3-2-8-17-10-14-9-15-17;1-2(3)4/h9-10,13H,2-8H2,1H3,(H,16,18);1H3,(H,3,4)
InChIKeyHZTIZYXZFJSAPB-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.41
Rot. Bonds5

About acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide

acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 154907389) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound Nameacetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID154907389
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Nameacetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC(=O)O.CC1(NC(=O)CCCn2cncn2)CCNCC1
InChIInChI=1S/C12H21N5O.C2H4O2/c1-12(4-6-13-7-5-12)16-11(18)3-2-8-17-10-14-9-15-17;1-2(3)4/h9-10,13H,2-8H2,1H3,(H,16,18);1H3,(H,3,4)
InChIKeyHZTIZYXZFJSAPB-UHFFFAOYSA-N
XLogP0.41
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 130626359
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
1-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanone
CID 12760574
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120
(2S)-4-methyl-2-[4-(1,2,4-triazol-1-yl)butanoylamino]pentanamide
CID 131948202
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
N-(4-acetyl-3-chlorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 75455006
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
3-methyl-1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 61291446

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide (CID 154907389) is acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide is CC(=O)O.CC1(NC(=O)CCCn2cncn2)CCNCC1.
What is the InChIKey of acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is HZTIZYXZFJSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O.C2H4O2/c1-12(4-6-13-7-5-12)16-11(18)3-2-8-17-10-14-9-15-17;1-2(3)4/h9-10,13H,2-8H2,1H3,(H,16,18);1H3,(H,3,4).
What are the key properties of acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide?
acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 311.39 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(4-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 154907389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).