3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide

C15H21N3O3 — CID 63875683

IUPAC3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)COC1CCNCC1
InChIInChI=1S/C15H21N3O3/c1-10-8-11(15(16)20)2-3-13(10)18-14(19)9-21-12-4-6-17-7-5-12/h2-3,8,12,17H,4-7,9H2,1H3,(H2,16,20)(H,18,19)
InChIKeyVYTZZNVYGFGSDD-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.80
Rot. Bonds5

About 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide

3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide (PubChem CID 63875683) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide
PubChem CID63875683
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)COC1CCNCC1
InChIInChI=1S/C15H21N3O3/c1-10-8-11(15(16)20)2-3-13(10)18-14(19)9-21-12-4-6-17-7-5-12/h2-3,8,12,17H,4-7,9H2,1H3,(H2,16,20)(H,18,19)
InChIKeyVYTZZNVYGFGSDD-UHFFFAOYSA-N
XLogP0.80
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875333
N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63876721
4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
CID 63876200
N-(4-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 43706641
N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
CID 63007219
2-piperidin-4-yloxy-N-(2,4,6-trimethylphenyl)acetamide
CID 39062816
N-(2-tert-butylphenyl)-2-piperidin-4-yloxyacetamide
CID 63876023
N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide
CID 63876197
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
CID 79322701

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide?
The IUPAC name of 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide (CID 63875683) is 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide.
What is the SMILES notation for 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide?
The canonical SMILES for 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide is Cc1cc(C(N)=O)ccc1NC(=O)COC1CCNCC1.
What is the InChIKey of 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide?
The InChIKey is VYTZZNVYGFGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-8-11(15(16)20)2-3-13(10)18-14(19)9-21-12-4-6-17-7-5-12/h2-3,8,12,17H,4-7,9H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide?
3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide is sourced from PubChem (CID 63875683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).