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

C28H31N3O — CID 10622315

IUPACN-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
SMILESO=C(NCCN1CCN(C2CCc3ccccc32)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H31N3O/c32-28(25-12-10-23(11-13-25)22-6-2-1-3-7-22)29-16-17-30-18-20-31(21-19-30)27-15-14-24-8-4-5-9-26(24)27/h1-13,27H,14-21H2,(H,29,32)
InChIKeyUFBADMZESHGMPD-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.39
Rot. Bonds6

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

N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide (PubChem CID 10622315) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
PubChem CID10622315
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC NameN-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
SMILESO=C(NCCN1CCN(C2CCc3ccccc32)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H31N3O/c32-28(25-12-10-23(11-13-25)22-6-2-1-3-7-22)29-16-17-30-18-20-31(21-19-30)27-15-14-24-8-4-5-9-26(24)27/h1-13,27H,14-21H2,(H,29,32)
InChIKeyUFBADMZESHGMPD-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10046389
4-fluoro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10474964
4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide
CID 10597541
3,4,5-trimethoxy-N-[2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazin-1-yl]ethyl]benzamide
CID 10695574
N-[4-[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]butyl]-4-phenylbenzamide
CID 54162462
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461
2-[2-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 10548389
4-N-cyclopropyl-1-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 166235755

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide (CID 10622315) is N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide is O=C(NCCN1CCN(C2CCc3ccccc32)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The InChIKey is UFBADMZESHGMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c32-28(25-12-10-23(11-13-25)22-6-2-1-3-7-22)29-16-17-30-18-20-31(21-19-30)27-15-14-24-8-4-5-9-26(24)27/h1-13,27H,14-21H2,(H,29,32).
What are the key properties of N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide has a molecular weight of 425.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 10622315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).