2-methyl-4-(piperidin-4-ylmethylamino)benzamide

C14H21N3O — CID 81279242

IUPAC2-methyl-4-(piperidin-4-ylmethylamino)benzamide
SMILESCc1cc(NCC2CCNCC2)ccc1C(N)=O
InChIInChI=1S/C14H21N3O/c1-10-8-12(2-3-13(10)14(15)18)17-9-11-4-6-16-7-5-11/h2-3,8,11,16-17H,4-7,9H2,1H3,(H2,15,18)
InChIKeyCNQXQCPSUYRRDO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.51
Rot. Bonds4

About 2-methyl-4-(piperidin-4-ylmethylamino)benzamide

2-methyl-4-(piperidin-4-ylmethylamino)benzamide (PubChem CID 81279242) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-methyl-4-(piperidin-4-ylmethylamino)benzamide
PubChem CID81279242
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methyl-4-(piperidin-4-ylmethylamino)benzamide
SMILESCc1cc(NCC2CCNCC2)ccc1C(N)=O
InChIInChI=1S/C14H21N3O/c1-10-8-12(2-3-13(10)14(15)18)17-9-11-4-6-16-7-5-11/h2-3,8,11,16-17H,4-7,9H2,1H3,(H2,15,18)
InChIKeyCNQXQCPSUYRRDO-UHFFFAOYSA-N
XLogP1.51
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81278832
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CID 81278418
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
4-(azetidin-3-ylamino)-2-methylbenzamide
CID 81279115
3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid
CID 79707293
2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
CID 63883886
3-(piperidin-4-ylmethylamino)benzoic acid
CID 79707352
4-[2-(ethylamino)ethylamino]-2-methylbenzamide
CID 81279586
2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
CID 79699723
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-4-ylmethylamino)benzamide?
The IUPAC name of 2-methyl-4-(piperidin-4-ylmethylamino)benzamide (CID 81279242) is 2-methyl-4-(piperidin-4-ylmethylamino)benzamide.
What is the SMILES notation for 2-methyl-4-(piperidin-4-ylmethylamino)benzamide?
The canonical SMILES for 2-methyl-4-(piperidin-4-ylmethylamino)benzamide is Cc1cc(NCC2CCNCC2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-(piperidin-4-ylmethylamino)benzamide?
The InChIKey is CNQXQCPSUYRRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-12(2-3-13(10)14(15)18)17-9-11-4-6-16-7-5-11/h2-3,8,11,16-17H,4-7,9H2,1H3,(H2,15,18).
What are the key properties of 2-methyl-4-(piperidin-4-ylmethylamino)benzamide?
2-methyl-4-(piperidin-4-ylmethylamino)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-4-ylmethylamino)benzamide is sourced from PubChem (CID 81279242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).