piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone

C19H24N2O2 — CID 779278

IUPACpiperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
SMILESO=C(c1oc2ccccc2c1N1CCCCC1)N1CCCCC1
InChIInChI=1S/C19H24N2O2/c22-19(21-13-7-2-8-14-21)18-17(20-11-5-1-6-12-20)15-9-3-4-10-16(15)23-18/h3-4,9-10H,1-2,5-8,11-14H2
InChIKeyUAYWHBNBEKJEDV-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.05
Rot. Bonds2

About piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone

piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone (PubChem CID 779278) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
PubChem CID779278
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namepiperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
SMILESO=C(c1oc2ccccc2c1N1CCCCC1)N1CCCCC1
InChIInChI=1S/C19H24N2O2/c22-19(21-13-7-2-8-14-21)18-17(20-11-5-1-6-12-20)15-9-3-4-10-16(15)23-18/h3-4,9-10H,1-2,5-8,11-14H2
InChIKeyUAYWHBNBEKJEDV-UHFFFAOYSA-N
XLogP4.05
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 35809417
(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
CID 110703112
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926229
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 17482867
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 39754453

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone (CID 779278) is piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone is O=C(c1oc2ccccc2c1N1CCCCC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone?
The InChIKey is UAYWHBNBEKJEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-19(21-13-7-2-8-14-21)18-17(20-11-5-1-6-12-20)15-9-3-4-10-16(15)23-18/h3-4,9-10H,1-2,5-8,11-14H2.
What are the key properties of piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone?
piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 779278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).