N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide

C22H27N3O3 — CID 56539564

IUPACN-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)CN3CCNC(=O)C3C(C)C)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-15(2)21-22(27)23-11-12-25(21)14-20(26)24-17-7-9-18(10-8-17)28-19-6-4-5-16(3)13-19/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyNJBJXDVCJNSECC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.18
Rot. Bonds6

About N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide

N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 56539564) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide
PubChem CID56539564
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)CN3CCNC(=O)C3C(C)C)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-15(2)21-22(27)23-11-12-25(21)14-20(26)24-17-7-9-18(10-8-17)28-19-6-4-5-16(3)13-19/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyNJBJXDVCJNSECC-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 167910052
2-[1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 166267199
N-[4-(3-methylphenoxy)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 42897369
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
2-methylpropyl 2-[3-oxo-1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperazin-2-yl]acetate
CID 54822312
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
CID 24901626
4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120617162
N-[4-(3-methylphenoxy)phenyl]-2-[(3S)-3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 100623739
N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 37178939
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 55876072
N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide (CID 56539564) is N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide is Cc1cccc(Oc2ccc(NC(=O)CN3CCNC(=O)C3C(C)C)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide?
The InChIKey is NJBJXDVCJNSECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15(2)21-22(27)23-11-12-25(21)14-20(26)24-17-7-9-18(10-8-17)28-19-6-4-5-16(3)13-19/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide?
N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 56539564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).