N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide

C29H31N3O3 — CID 142713736

IUPACN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(C(C)CNC(=O)c3cc4ccc5ccccc5c4o3)CC2)c1
InChIInChI=1S/C29H31N3O3/c1-19(32-14-12-21(13-15-32)23-7-5-8-25(16-23)31-20(2)33)18-30-29(34)27-17-24-11-10-22-6-3-4-9-26(22)28(24)35-27/h3-11,16-17,19,21H,12-15,18H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyNLUSIIFUIKATNE-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.54
Rot. Bonds6

About N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide

N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide (PubChem CID 142713736) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide
PubChem CID142713736
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(C(C)CNC(=O)c3cc4ccc5ccccc5c4o3)CC2)c1
InChIInChI=1S/C29H31N3O3/c1-19(32-14-12-21(13-15-32)23-7-5-8-25(16-23)31-20(2)33)18-30-29(34)27-17-24-11-10-22-6-3-4-9-26(22)28(24)35-27/h3-11,16-17,19,21H,12-15,18H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyNLUSIIFUIKATNE-UHFFFAOYSA-N
XLogP5.54
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide
CID 142713770
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-bromobenzo[g][1]benzofuran-2-carboxamide
CID 72715430
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide
CID 71678923
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide
CID 71679421
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(1-methylindol-5-yl)benzo[g][1]benzofuran-2-carboxamide
CID 71679743
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide
CID 125443318
N-[3-[1-[(1S)-1-hydroxy-5-phenylpentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 91368577
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
CID 22049422
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide (CID 142713736) is N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide is CC(=O)Nc1cccc(C2CCN(C(C)CNC(=O)c3cc4ccc5ccccc5c4o3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is NLUSIIFUIKATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-19(32-14-12-21(13-15-32)23-7-5-8-25(16-23)31-20(2)33)18-30-29(34)27-17-24-11-10-22-6-3-4-9-26(22)28(24)35-27/h3-11,16-17,19,21H,12-15,18H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide?
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 142713736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).