3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide

C28H31N3O — CID 15312802

IUPAC3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide
SMILESO=C(CCN1CCN(C2CCc3ccccc32)CC1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H31N3O/c32-28(29-25-13-10-23(11-14-25)22-6-2-1-3-7-22)16-17-30-18-20-31(21-19-30)27-15-12-24-8-4-5-9-26(24)27/h1-11,13-14,27H,12,15-21H2,(H,29,32)
InChIKeyMLUIWPJLZUJHDF-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.99
Rot. Bonds6

About 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide

3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide (PubChem CID 15312802) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide
PubChem CID15312802
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide
SMILESO=C(CCN1CCN(C2CCc3ccccc32)CC1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H31N3O/c32-28(29-25-13-10-23(11-14-25)22-6-2-1-3-7-22)16-17-30-18-20-31(21-19-30)27-15-12-24-8-4-5-9-26(24)27/h1-11,13-14,27H,12,15-21H2,(H,29,32)
InChIKeyMLUIWPJLZUJHDF-UHFFFAOYSA-N
XLogP4.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15312826
N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 10622315
4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
CID 110399826
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
3-(2-hydroxy-5-oxopyrrolidin-1-yl)-N-(4-phenylphenyl)propanamide
CID 176994034
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 131922894
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]imidazolidin-2-one
CID 14208336

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide?
The IUPAC name of 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide (CID 15312802) is 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide.
What is the SMILES notation for 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide?
The canonical SMILES for 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide is O=C(CCN1CCN(C2CCc3ccccc32)CC1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide?
The InChIKey is MLUIWPJLZUJHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c32-28(29-25-13-10-23(11-14-25)22-6-2-1-3-7-22)16-17-30-18-20-31(21-19-30)27-15-12-24-8-4-5-9-26(24)27/h1-11,13-14,27H,12,15-21H2,(H,29,32).
What are the key properties of 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide?
3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide has a molecular weight of 425.58 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide is sourced from PubChem (CID 15312802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).