N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide

C22H30N4O — CID 57062888

IUPACN-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N(Cc2ccccc2)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C22H30N4O/c1-23(2)20-9-11-21(12-10-20)26(17-19-7-5-4-6-8-19)22(27)18-25-15-13-24(3)14-16-25/h4-12H,13-18H2,1-3H3
InChIKeyYXMGUKFGIWXOHL-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.53
Rot. Bonds6

About N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide

N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 57062888) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID57062888
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N(Cc2ccccc2)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C22H30N4O/c1-23(2)20-9-11-21(12-10-20)26(17-19-7-5-4-6-8-19)22(27)18-25-15-13-24(3)14-16-25/h4-12H,13-18H2,1-3H3
InChIKeyYXMGUKFGIWXOHL-UHFFFAOYSA-N
XLogP2.53
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816
N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596417
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55566381
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 55682732
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396
2-[1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 112707407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 57062888) is N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)N(Cc2ccccc2)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is YXMGUKFGIWXOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-23(2)20-9-11-21(12-10-20)26(17-19-7-5-4-6-8-19)22(27)18-25-15-13-24(3)14-16-25/h4-12H,13-18H2,1-3H3.
What are the key properties of N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 57062888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).