1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide

C20H25ClN2O3 — CID 91953815

IUPAC1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1cc2oc(C(=O)N3CCCC(C(=O)NC(C)C)C3)c(C)c2cc1Cl
InChIInChI=1S/C20H25ClN2O3/c1-11(2)22-19(24)14-6-5-7-23(10-14)20(25)18-13(4)15-9-16(21)12(3)8-17(15)26-18/h8-9,11,14H,5-7,10H2,1-4H3,(H,22,24)
InChIKeyRUIMXIDUFSTXBS-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.08
Rot. Bonds3

About 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 91953815) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID91953815
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1cc2oc(C(=O)N3CCCC(C(=O)NC(C)C)C3)c(C)c2cc1Cl
InChIInChI=1S/C20H25ClN2O3/c1-11(2)22-19(24)14-6-5-7-23(10-14)20(25)18-13(4)15-9-16(21)12(3)8-17(15)26-18/h8-9,11,14H,5-7,10H2,1-4H3,(H,22,24)
InChIKeyRUIMXIDUFSTXBS-UHFFFAOYSA-N
XLogP4.08
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953871
1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953868
1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55818612
ethyl (3R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 42242316
N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 119482356
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539471
(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119237802
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 91953815) is 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide is Cc1cc2oc(C(=O)N3CCCC(C(=O)NC(C)C)C3)c(C)c2cc1Cl.
What is the InChIKey of 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is RUIMXIDUFSTXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-11(2)22-19(24)14-6-5-7-23(10-14)20(25)18-13(4)15-9-16(21)12(3)8-17(15)26-18/h8-9,11,14H,5-7,10H2,1-4H3,(H,22,24).
What are the key properties of 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 376.88 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 91953815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).