4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide

C27H27N3O2 — CID 149052583

IUPAC4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
SMILESNC1CCN(c2ccc(C(=O)Nc3ccc(-c4ccccc4)c4c3C(=O)CC4)cc2)CC1
InChIInChI=1S/C27H27N3O2/c28-20-14-16-30(17-15-20)21-8-6-19(7-9-21)27(32)29-24-12-10-22(18-4-2-1-3-5-18)23-11-13-25(31)26(23)24/h1-10,12,20H,11,13-17,28H2,(H,29,32)
InChIKeyQKCLNBWEUXEUPO-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.66
Rot. Bonds4

About 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide

4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide (PubChem CID 149052583) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
PubChem CID149052583
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
SMILESNC1CCN(c2ccc(C(=O)Nc3ccc(-c4ccccc4)c4c3C(=O)CC4)cc2)CC1
InChIInChI=1S/C27H27N3O2/c28-20-14-16-30(17-15-20)21-8-6-19(7-9-21)27(32)29-24-12-10-22(18-4-2-1-3-5-18)23-11-13-25(31)26(23)24/h1-10,12,20H,11,13-17,28H2,(H,29,32)
InChIKeyQKCLNBWEUXEUPO-UHFFFAOYSA-N
XLogP4.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 174590628
3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 162075474
2-methoxy-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 147732049
N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59737562
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
N-(2-amino-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749364
N-(1,3-dioxo-7-phenylinden-4-yl)benzamide
CID 161402375
4-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(5-amino-2-phenylphenyl)benzamide
CID 174677274
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 174689316
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749342
N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
CID 147926657

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide (CID 149052583) is 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide is NC1CCN(c2ccc(C(=O)Nc3ccc(-c4ccccc4)c4c3C(=O)CC4)cc2)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide?
The InChIKey is QKCLNBWEUXEUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c28-20-14-16-30(17-15-20)21-8-6-19(7-9-21)27(32)29-24-12-10-22(18-4-2-1-3-5-18)23-11-13-25(31)26(23)24/h1-10,12,20H,11,13-17,28H2,(H,29,32).
What are the key properties of 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide?
4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide is sourced from PubChem (CID 149052583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).