N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide

C22H28N4O2 — CID 42014034

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-25(2)20-10-8-17(9-11-20)22(28)24-19-12-14-26(15-13-19)16-21(27)23-18-6-4-3-5-7-18/h3-11,19H,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyLWEZVMIAXTVVMP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.59
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide (PubChem CID 42014034) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
PubChem CID42014034
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-25(2)20-10-8-17(9-11-20)22(28)24-19-12-14-26(15-13-19)16-21(27)23-18-6-4-3-5-7-18/h3-11,19H,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyLWEZVMIAXTVVMP-UHFFFAOYSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55775744
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(methylsulfinylmethyl)benzamide
CID 16613506
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(dimethylamino)-5-nitrobenzamide
CID 55518296

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide (CID 42014034) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide?
The InChIKey is LWEZVMIAXTVVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25(2)20-10-8-17(9-11-20)22(28)24-19-12-14-26(15-13-19)16-21(27)23-18-6-4-3-5-7-18/h3-11,19H,12-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 42014034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).