3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

C30H30N4O2 — CID 3449662

IUPAC3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCn1cc(C(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C30H30N4O2/c1-32-20-25(23-11-5-7-13-27(23)32)24(21-9-3-2-4-10-21)19-29(35)33-17-15-22(16-18-33)34-28-14-8-6-12-26(28)31-30(34)36/h2-14,20,22,24H,15-19H2,1H3,(H,31,36)
InChIKeyIIYINPMQDCSMKP-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.21
Rot. Bonds5

About 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 3449662) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID3449662
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCn1cc(C(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C30H30N4O2/c1-32-20-25(23-11-5-7-13-27(23)32)24(21-9-3-2-4-10-21)19-29(35)33-17-15-22(16-18-33)34-28-14-8-6-12-26(28)31-30(34)36/h2-14,20,22,24H,15-19H2,1H3,(H,31,36)
InChIKeyIIYINPMQDCSMKP-UHFFFAOYSA-N
XLogP5.21
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42801315
ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 42774746
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
CID 42774748
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
3,3-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]butanamide
CID 60565714
1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109782
3-(1-methylindol-3-yl)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 42774763
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 3449662) is 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cn1cc(C(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is IIYINPMQDCSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-32-20-25(23-11-5-7-13-27(23)32)24(21-9-3-2-4-10-21)19-29(35)33-17-15-22(16-18-33)34-28-14-8-6-12-26(28)31-30(34)36/h2-14,20,22,24H,15-19H2,1H3,(H,31,36).
What are the key properties of 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 478.60 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 3449662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).