N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide

C20H24N2O3 — CID 91953678

IUPACN-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C(=O)C3CCCNC3)C3CC3)oc2c1
InChIInChI=1S/C20H24N2O3/c1-12-5-8-16-13(2)18(25-17(16)10-12)20(24)22(15-6-7-15)19(23)14-4-3-9-21-11-14/h5,8,10,14-15,21H,3-4,6-7,9,11H2,1-2H3
InChIKeyNWUPPMMLNYEBTM-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.18
Rot. Bonds3

About N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide

N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide (PubChem CID 91953678) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
PubChem CID91953678
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C(=O)C3CCCNC3)C3CC3)oc2c1
InChIInChI=1S/C20H24N2O3/c1-12-5-8-16-13(2)18(25-17(16)10-12)20(24)22(15-6-7-15)19(23)14-4-3-9-21-11-14/h5,8,10,14-15,21H,3-4,6-7,9,11H2,1-2H3
InChIKeyNWUPPMMLNYEBTM-UHFFFAOYSA-N
XLogP3.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide
CID 91950476
3,6-dimethyl-N-(1,4-oxazepan-6-ylmethyl)-1-benzofuran-2-carboxamide
CID 70718090
N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 91953683
5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
CID 91953663
N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 54872044
N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide
CID 91953770
N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
CID 91949812
N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948919
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81129873
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide (CID 91953678) is N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide is Cc1ccc2c(C)c(C(=O)N(C(=O)C3CCCNC3)C3CC3)oc2c1.
What is the InChIKey of N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is NWUPPMMLNYEBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12-5-8-16-13(2)18(25-17(16)10-12)20(24)22(15-6-7-15)19(23)14-4-3-9-21-11-14/h5,8,10,14-15,21H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide?
N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 91953678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).