[1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone

C24H26N2O3 — CID 45205774

IUPAC[1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
SMILESCCCc1ccc2oc(C(=O)N3CCCC(C(=O)c4cccnc4)C3)c(C)c2c1
InChIInChI=1S/C24H26N2O3/c1-3-6-17-9-10-21-20(13-17)16(2)23(29-21)24(28)26-12-5-8-19(15-26)22(27)18-7-4-11-25-14-18/h4,7,9-11,13-14,19H,3,5-6,8,12,15H2,1-2H3
InChIKeyJVCQQVRZQAACPW-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.82
Rot. Bonds5

About [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone

[1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone (PubChem CID 45205774) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
PubChem CID45205774
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name[1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
SMILESCCCc1ccc2oc(C(=O)N3CCCC(C(=O)c4cccnc4)C3)c(C)c2c1
InChIInChI=1S/C24H26N2O3/c1-3-6-17-9-10-21-20(13-17)16(2)23(29-21)24(28)26-12-5-8-19(15-26)22(27)18-7-4-11-25-14-18/h4,7,9-11,13-14,19H,3,5-6,8,12,15H2,1-2H3
InChIKeyJVCQQVRZQAACPW-UHFFFAOYSA-N
XLogP4.82
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 70779809
ethyl (3R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 42242316
pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
CID 97193617
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 23724069
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067010
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 97127277

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone (CID 45205774) is [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone is CCCc1ccc2oc(C(=O)N3CCCC(C(=O)c4cccnc4)C3)c(C)c2c1.
What is the InChIKey of [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The InChIKey is JVCQQVRZQAACPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-6-17-9-10-21-20(13-17)16(2)23(29-21)24(28)26-12-5-8-19(15-26)22(27)18-7-4-11-25-14-18/h4,7,9-11,13-14,19H,3,5-6,8,12,15H2,1-2H3.
What are the key properties of [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
[1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone has a molecular weight of 390.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 45205774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).