N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide

C27H29N3O3 — CID 72724337

IUPACN-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide
SMILESO=C(CCC(=O)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1)Nc1cccc(O)c1
InChIInChI=1S/C27H29N3O3/c31-25-11-5-10-24(19-25)28-26(32)12-13-27(33)30-16-14-29(15-17-30)20-21-6-4-9-23(18-21)22-7-2-1-3-8-22/h1-11,18-19,31H,12-17,20H2,(H,28,32)
InChIKeyHKQYNLBTZFHWHE-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.12
Rot. Bonds7

About N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide

N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide (PubChem CID 72724337) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide
PubChem CID72724337
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide
SMILESO=C(CCC(=O)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1)Nc1cccc(O)c1
InChIInChI=1S/C27H29N3O3/c31-25-11-5-10-24(19-25)28-26(32)12-13-27(33)30-16-14-29(15-17-30)20-21-6-4-9-23(18-21)22-7-2-1-3-8-22/h1-11,18-19,31H,12-17,20H2,(H,28,32)
InChIKeyHKQYNLBTZFHWHE-UHFFFAOYSA-N
XLogP4.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 131900461
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
1-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 9450619
4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 15997126
N-(4-anilinophenyl)-4-[(3-hydroxyphenyl)methyl]piperazine-1-carbothioamide
CID 100569882
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 51043444
but-2-enedioic acid;1-phenyl-4-[(3-phenylphenyl)methyl]piperazine
CID 70248909
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide (CID 72724337) is N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide is O=C(CCC(=O)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide?
The InChIKey is HKQYNLBTZFHWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c31-25-11-5-10-24(19-25)28-26(32)12-13-27(33)30-16-14-29(15-17-30)20-21-6-4-9-23(18-21)22-7-2-1-3-8-22/h1-11,18-19,31H,12-17,20H2,(H,28,32).
What are the key properties of N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide?
N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide has a molecular weight of 443.55 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide is sourced from PubChem (CID 72724337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).