N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

C23H29N3O3 — CID 23723948

IUPACN-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCOc1cccc(CNC(=O)CC2C(=O)NCCN2CCCc2ccccc2)c1
InChIInChI=1S/C23H29N3O3/c1-29-20-11-5-9-19(15-20)17-25-22(27)16-21-23(28)24-12-14-26(21)13-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15,21H,6,10,12-14,16-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyNZJCCGCPNKKVFO-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.13
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (PubChem CID 23723948) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
PubChem CID23723948
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCOc1cccc(CNC(=O)CC2C(=O)NCCN2CCCc2ccccc2)c1
InChIInChI=1S/C23H29N3O3/c1-29-20-11-5-9-19(15-20)17-25-22(27)16-21-23(28)24-12-14-26(21)13-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15,21H,6,10,12-14,16-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyNZJCCGCPNKKVFO-UHFFFAOYSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (CID 23723948) is N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is COc1cccc(CNC(=O)CC2C(=O)NCCN2CCCc2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The InChIKey is NZJCCGCPNKKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-20-11-5-9-19(15-20)17-25-22(27)16-21-23(28)24-12-14-26(21)13-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15,21H,6,10,12-14,16-17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 23723948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).