(3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

C21H24N3O4+ — CID 9306036

IUPAC(3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C[NH+]1CCC[C@@H](C(N)=O)C1)oc1ccccc12
InChIInChI=1S/C21H23N3O4/c1-27-19-9-15-14-6-2-3-7-17(14)28-18(15)10-16(19)23-20(25)12-24-8-4-5-13(11-24)21(22)26/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3,(H2,22,26)(H,23,25)/p+1/t13-/m1/s1
InChIKeyASLHJLRTORZHOP-CYBMUJFWSA-O
MW382.44 g/mol
LogP1.31
Rot. Bonds5

About (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

(3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide (PubChem CID 9306036) has the molecular formula C21H24N3O4+ and a molecular weight of 382.44 g/mol. Its IUPAC name is (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
PubChem CID9306036
Molecular FormulaC21H24N3O4+
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name(3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C[NH+]1CCC[C@@H](C(N)=O)C1)oc1ccccc12
InChIInChI=1S/C21H23N3O4/c1-27-19-9-15-14-6-2-3-7-17(14)28-18(15)10-16(19)23-20(25)12-24-8-4-5-13(11-24)21(22)26/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3,(H2,22,26)(H,23,25)/p+1/t13-/m1/s1
InChIKeyASLHJLRTORZHOP-CYBMUJFWSA-O
XLogP1.31
TPSA99.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305747
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
ethyl (3R)-1-[2-(dibenzofuran-2-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8546924
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
(3R)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305809
(3S)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8546331
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829
ethyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 3532935
ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 7745268
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
(3R)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305670

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide (CID 9306036) is (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide is COc1cc2c(cc1NC(=O)C[NH+]1CCC[C@@H](C(N)=O)C1)oc1ccccc12.
What is the InChIKey of (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The InChIKey is ASLHJLRTORZHOP-CYBMUJFWSA-O. The full InChI is InChI=1S/C21H23N3O4/c1-27-19-9-15-14-6-2-3-7-17(14)28-18(15)10-16(19)23-20(25)12-24-8-4-5-13(11-24)21(22)26/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3,(H2,22,26)(H,23,25)/p+1/t13-/m1/s1.
What are the key properties of (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
(3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 9306036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).