3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide

C20H27N3O3 — CID 72859203

IUPAC3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc3oc(C)cc3c2)C1
InChIInChI=1S/C20H27N3O3/c1-4-22(5-2)19(24)15-7-6-10-23(13-15)20(25)21-17-8-9-18-16(12-17)11-14(3)26-18/h8-9,11-12,15H,4-7,10,13H2,1-3H3,(H,21,25)
InChIKeyPJRVZCICCWBIEQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.85
Rot. Bonds4

About 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide (PubChem CID 72859203) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
PubChem CID72859203
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc3oc(C)cc3c2)C1
InChIInChI=1S/C20H27N3O3/c1-4-22(5-2)19(24)15-7-6-10-23(13-15)20(25)21-17-8-9-18-16(12-17)11-14(3)26-18/h8-9,11-12,15H,4-7,10,13H2,1-3H3,(H,21,25)
InChIKeyPJRVZCICCWBIEQ-UHFFFAOYSA-N
XLogP3.85
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
1-N-(2,1,3-benzothiadiazol-5-yl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 2925009
4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 72923232
1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide
CID 3785277
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
(3S)-1-N-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 126136195
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
CID 97284330

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide (CID 72859203) is 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide is CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc3oc(C)cc3c2)C1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide?
The InChIKey is PJRVZCICCWBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-22(5-2)19(24)15-7-6-10-23(13-15)20(25)21-17-8-9-18-16(12-17)11-14(3)26-18/h8-9,11-12,15H,4-7,10,13H2,1-3H3,(H,21,25).
What are the key properties of 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 72859203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).