N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C25H33N3O2 — CID 54781982

IUPACN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-18(2)17-20-9-11-21(12-10-20)19(3)24(29)26-23-8-6-5-7-22(23)25(30)28-15-13-27(4)14-16-28/h5-12,18-19H,13-17H2,1-4H3,(H,26,29)
InChIKeyTZYZXEOOEBFYFM-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54781982) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54781982
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-18(2)17-20-9-11-21(12-10-20)19(3)24(29)26-23-8-6-5-7-22(23)25(30)28-15-13-27(4)14-16-28/h5-12,18-19H,13-17H2,1-4H3,(H,26,29)
InChIKeyTZYZXEOOEBFYFM-UHFFFAOYSA-N
XLogP4.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
2-[4-(2-methylpropyl)phenyl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 54781980
3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 54795309
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-(4-benzhydrylpiperazine-1-carbothioyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782421
N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11839494
N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 4943816
1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 4943688
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
[2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 19938119
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54781982) is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is TZYZXEOOEBFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18(2)17-20-9-11-21(12-10-20)19(3)24(29)26-23-8-6-5-7-22(23)25(30)28-15-13-27(4)14-16-28/h5-12,18-19H,13-17H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 407.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54781982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).