N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

C20H24N4O3 — CID 2454527

IUPACN-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N4O3/c25-18-9-5-4-8-17(18)24-12-10-23(11-13-24)15-19(26)22-20(27)21-14-16-6-2-1-3-7-16/h1-9,25H,10-15H2,(H2,21,22,26,27)
InChIKeyVRVTZZKSCVPFRZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.54
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2454527) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2454527
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N4O3/c25-18-9-5-4-8-17(18)24-12-10-23(11-13-24)15-19(26)22-20(27)21-14-16-6-2-1-3-7-16/h1-9,25H,10-15H2,(H2,21,22,26,27)
InChIKeyVRVTZZKSCVPFRZ-UHFFFAOYSA-N
XLogP1.54
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2454527) is N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccccc2O)CC1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is VRVTZZKSCVPFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18-9-5-4-8-17(18)24-12-10-23(11-13-24)15-19(26)22-20(27)21-14-16-6-2-1-3-7-16/h1-9,25H,10-15H2,(H2,21,22,26,27).
What are the key properties of N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2454527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).