3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide

C27H31N3O2 — CID 3819199

IUPAC3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H31N3O2/c31-27(15-16-29-17-19-30(20-18-29)21-23-7-3-1-4-8-23)28-25-11-13-26(14-12-25)32-22-24-9-5-2-6-10-24/h1-14H,15-22H2,(H,28,31)
InChIKeyRWUIVHVVFWEECH-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.41
Rot. Bonds9

About 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide

3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 3819199) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID3819199
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H31N3O2/c31-27(15-16-29-17-19-30(20-18-29)21-23-7-3-1-4-8-23)28-25-11-13-26(14-12-25)32-22-24-9-5-2-6-10-24/h1-14H,15-22H2,(H,28,31)
InChIKeyRWUIVHVVFWEECH-UHFFFAOYSA-N
XLogP4.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide (CID 3819199) is 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is RWUIVHVVFWEECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c31-27(15-16-29-17-19-30(20-18-29)21-23-7-3-1-4-8-23)28-25-11-13-26(14-12-25)32-22-24-9-5-2-6-10-24/h1-14H,15-22H2,(H,28,31).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide?
3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 429.56 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 3819199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).