N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide

C22H29N3O2 — CID 112984474

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)CC(C)C)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-17(2)16-22(26)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)20-6-4-5-7-21(20)27-3/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKeyHCYPVXDBFPMUHE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.01
Rot. Bonds6

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide (PubChem CID 112984474) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
PubChem CID112984474
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)CC(C)C)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-17(2)16-22(26)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)20-6-4-5-7-21(20)27-3/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKeyHCYPVXDBFPMUHE-UHFFFAOYSA-N
XLogP4.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
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-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 42752791
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 1063445
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
(2R)-4-(4-fluoroanilino)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxobutanoic acid
CID 52903066
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 175654262
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8687474
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 112984476
N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride
CID 162673635
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide (CID 112984474) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide is COc1ccccc1N1CCN(c2ccc(NC(=O)CC(C)C)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide?
The InChIKey is HCYPVXDBFPMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(2)16-22(26)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)20-6-4-5-7-21(20)27-3/h4-11,17H,12-16H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide has a molecular weight of 367.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 112984474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).