N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide

C25H33N3O2 — CID 56523285

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NCc2ccccc2N2CCN(C)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-3-6-20-9-11-21(12-10-20)24(29)13-14-25(30)26-19-22-7-4-5-8-23(22)28-17-15-27(2)16-18-28/h4-5,7-12H,3,6,13-19H2,1-2H3,(H,26,30)
InChIKeyYJFHCRMBUWIYMX-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.67
Rot. Bonds9

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide (PubChem CID 56523285) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
PubChem CID56523285
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NCc2ccccc2N2CCN(C)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-3-6-20-9-11-21(12-10-20)24(29)13-14-25(30)26-19-22-7-4-5-8-23(22)28-17-15-27(2)16-18-28/h4-5,7-12H,3,6,13-19H2,1-2H3,(H,26,30)
InChIKeyYJFHCRMBUWIYMX-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 56517492
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
1-[4-(2-nitrophenyl)piperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione
CID 27740983
4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 91042386
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
CID 56518355
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56517214
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 56517219

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide (CID 56523285) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)NCc2ccccc2N2CCN(C)CC2)cc1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide?
The InChIKey is YJFHCRMBUWIYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-6-20-9-11-21(12-10-20)24(29)13-14-25(30)26-19-22-7-4-5-8-23(22)28-17-15-27(2)16-18-28/h4-5,7-12H,3,6,13-19H2,1-2H3,(H,26,30).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide has a molecular weight of 407.56 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 56523285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).