N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide

C31H37N3O3 — CID 68669494

IUPACN-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)Cc1ccccc1CCC(=O)N1CCNCC1Cc1ccc(O)cc1
InChIInChI=1S/C31H37N3O3/c1-23(35)33-28(19-24-7-3-2-4-8-24)21-27-10-6-5-9-26(27)13-16-31(37)34-18-17-32-22-29(34)20-25-11-14-30(36)15-12-25/h2-12,14-15,28-29,32,36H,13,16-22H2,1H3,(H,33,35)
InChIKeyKRIVFPGVAHWULL-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.66
Rot. Bonds10

About N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide

N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide (PubChem CID 68669494) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide
PubChem CID68669494
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC NameN-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)Cc1ccccc1CCC(=O)N1CCNCC1Cc1ccc(O)cc1
InChIInChI=1S/C31H37N3O3/c1-23(35)33-28(19-24-7-3-2-4-8-24)21-27-10-6-5-9-26(27)13-16-31(37)34-18-17-32-22-29(34)20-25-11-14-30(36)15-12-25/h2-12,14-15,28-29,32,36H,13,16-22H2,1H3,(H,33,35)
InChIKeyKRIVFPGVAHWULL-UHFFFAOYSA-N
XLogP3.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide?
The IUPAC name of N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide (CID 68669494) is N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide is CC(=O)NC(Cc1ccccc1)Cc1ccccc1CCC(=O)N1CCNCC1Cc1ccc(O)cc1.
What is the InChIKey of N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide?
The InChIKey is KRIVFPGVAHWULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-23(35)33-28(19-24-7-3-2-4-8-24)21-27-10-6-5-9-26(27)13-16-31(37)34-18-17-32-22-29(34)20-25-11-14-30(36)15-12-25/h2-12,14-15,28-29,32,36H,13,16-22H2,1H3,(H,33,35).
What are the key properties of N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide?
N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide has a molecular weight of 499.66 g/mol, XLogP of 3.66, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 68669494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).