N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide

C22H28N4O — CID 145030171

IUPACN-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide
SMILESC=C(Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-18(19-7-5-4-6-8-19)23-20-9-11-21(12-10-20)25(3)22(27)17-26-15-13-24(2)14-16-26/h4-12,23H,1,13-17H2,2-3H3
InChIKeyKYIKTWCPJZAALZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.98
Rot. Bonds6

About N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide

N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide (PubChem CID 145030171) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide
PubChem CID145030171
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide
SMILESC=C(Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-18(19-7-5-4-6-8-19)23-20-9-11-21(12-10-20)25(3)22(27)17-26-15-13-24(2)14-16-26/h4-12,23H,1,13-17H2,2-3H3
InChIKeyKYIKTWCPJZAALZ-UHFFFAOYSA-N
XLogP2.98
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396
N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70321883
methyl 4-[(E)-1-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]-1-phenylprop-1-en-2-yl]-3-nitrosobenzoate
CID 129127555
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
ethyl 4-[[4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carbonyl]amino]benzoate
CID 3797605
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
CID 90462307
2-(4-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 62656804
N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 78808493
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 3856985
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide?
The IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide (CID 145030171) is N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide is C=C(Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide?
The InChIKey is KYIKTWCPJZAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-18(19-7-5-4-6-8-19)23-20-9-11-21(12-10-20)25(3)22(27)17-26-15-13-24(2)14-16-26/h4-12,23H,1,13-17H2,2-3H3.
What are the key properties of N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide?
N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide is sourced from PubChem (CID 145030171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).