4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide

C15H22N4O2 — CID 79322701

IUPAC4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)CN1CCC(N)CC1
InChIInChI=1S/C15H22N4O2/c1-10-8-11(15(17)21)2-3-13(10)18-14(20)9-19-6-4-12(16)5-7-19/h2-3,8,12H,4-7,9,16H2,1H3,(H2,17,21)(H,18,20)
InChIKeyVKOISUHXRUFWJT-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.46
Rot. Bonds4

About 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide

4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide (PubChem CID 79322701) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
PubChem CID79322701
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)CN1CCC(N)CC1
InChIInChI=1S/C15H22N4O2/c1-10-8-11(15(17)21)2-3-13(10)18-14(20)9-19-6-4-12(16)5-7-19/h2-3,8,12H,4-7,9,16H2,1H3,(H2,17,21)(H,18,20)
InChIKeyVKOISUHXRUFWJT-UHFFFAOYSA-N
XLogP0.46
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
CID 79322473
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
2-(4-aminopiperidin-1-yl)-N-(3-hydroxy-2,4-dimethylphenyl)acetamide
CID 79327471
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
2-(4-aminopiperidin-1-yl)-N-(5-cyano-2-methylphenyl)acetamide
CID 79327658
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 110899279
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 79323581

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide?
The IUPAC name of 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide (CID 79322701) is 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide.
What is the SMILES notation for 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide?
The canonical SMILES for 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)CN1CCC(N)CC1.
What is the InChIKey of 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide?
The InChIKey is VKOISUHXRUFWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-8-11(15(17)21)2-3-13(10)18-14(20)9-19-6-4-12(16)5-7-19/h2-3,8,12H,4-7,9,16H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide?
4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide has a molecular weight of 290.37 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide is sourced from PubChem (CID 79322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).