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

C22H28N4O2 — CID 46551381

IUPACN-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(24-22(28)23-17-19-7-3-1-4-8-19)11-12-25-13-15-26(16-14-25)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H2,23,24,27,28)
InChIKeyUTCAKBUBUUMJSL-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.22
Rot. Bonds7

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

N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide (PubChem CID 46551381) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
PubChem CID46551381
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(24-22(28)23-17-19-7-3-1-4-8-19)11-12-25-13-15-26(16-14-25)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H2,23,24,27,28)
InChIKeyUTCAKBUBUUMJSL-UHFFFAOYSA-N
XLogP2.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 24674437
N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide
CID 146126778
N-(benzylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 8002128
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 4869354
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide (CID 46551381) is N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide?
The InChIKey is UTCAKBUBUUMJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21(24-22(28)23-17-19-7-3-1-4-8-19)11-12-25-13-15-26(16-14-25)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H2,23,24,27,28).
What are the key properties of N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide?
N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide is sourced from PubChem (CID 46551381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).