2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H26N6O — CID 80507160

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCN(C)CC1CN
InChIInChI=1S/C14H26N6O/c1-10-14(11(2)19(4)17-10)16-13(21)9-20-6-5-18(3)8-12(20)7-15/h12H,5-9,15H2,1-4H3,(H,16,21)
InChIKeyNDEVQFJFYPRYNB-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.45
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 80507160) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID80507160
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCN(C)CC1CN
InChIInChI=1S/C14H26N6O/c1-10-14(11(2)19(4)17-10)16-13(21)9-20-6-5-18(3)8-12(20)7-15/h12H,5-9,15H2,1-4H3,(H,16,21)
InChIKeyNDEVQFJFYPRYNB-UHFFFAOYSA-N
XLogP-0.45
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 119928363
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
6-methyl-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxamide
CID 56825445
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 115648416
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63267860
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 80506909
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63248998
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 80507160) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN1CCN(C)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NDEVQFJFYPRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-10-14(11(2)19(4)17-10)16-13(21)9-20-6-5-18(3)8-12(20)7-15/h12H,5-9,15H2,1-4H3,(H,16,21).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 294.40 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 80507160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).