N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide

C23H30N4O2 — CID 131927952

IUPACN-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1NC(=O)CN(C)C
InChIInChI=1S/C23H30N4O2/c1-17-15-19(9-12-21(17)25-22(28)16-26(2)3)24-23(29)18-7-10-20(11-8-18)27-13-5-4-6-14-27/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyZACITAQBOZQBAU-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.74
Rot. Bonds6

About N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide

N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide (PubChem CID 131927952) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide
PubChem CID131927952
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1NC(=O)CN(C)C
InChIInChI=1S/C23H30N4O2/c1-17-15-19(9-12-21(17)25-22(28)16-26(2)3)24-23(29)18-7-10-20(11-8-18)27-13-5-4-6-14-27/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyZACITAQBOZQBAU-UHFFFAOYSA-N
XLogP3.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 46555969
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
CID 78883848
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100507663
3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175641054
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide (CID 131927952) is N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide is Cc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1NC(=O)CN(C)C.
What is the InChIKey of N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide?
The InChIKey is ZACITAQBOZQBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-15-19(9-12-21(17)25-22(28)16-26(2)3)24-23(29)18-7-10-20(11-8-18)27-13-5-4-6-14-27/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide?
N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 131927952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).