ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate

C24H30N3O3+ — CID 2421643

IUPACethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SMILESCCOC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1
InChIInChI=1S/C24H29N3O3/c1-3-27-21-8-6-5-7-19(21)20-15-18(9-10-22(20)27)25-23(28)16-26-13-11-17(12-14-26)24(29)30-4-2/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,25,28)/p+1
InChIKeyNWWFCUOVUVALBZ-UHFFFAOYSA-O
MW408.52 g/mol
LogP2.61
Rot. Bonds6

About ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate

ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate (PubChem CID 2421643) has the molecular formula C24H30N3O3+ and a molecular weight of 408.52 g/mol. Its IUPAC name is ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
PubChem CID2421643
Molecular FormulaC24H30N3O3+
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Nameethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SMILESCCOC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1
InChIInChI=1S/C24H29N3O3/c1-3-27-21-8-6-5-7-19(21)20-15-18(9-10-22(20)27)25-23(28)16-26-13-11-17(12-14-26)24(29)30-4-2/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,25,28)/p+1
InChIKeyNWWFCUOVUVALBZ-UHFFFAOYSA-O
XLogP2.61
TPSA64.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931614
ethyl 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxylate
CID 8931570
ethyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931548
ethyl 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931490
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
ethyl 1-[2-(2-ethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931245
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845
ethyl 1-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate
CID 8773037
ethyl (3R)-1-[2-(dibenzofuran-2-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8546924
2-[carbamoyl(methyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 9400428

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate (CID 2421643) is ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate is CCOC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1.
What is the InChIKey of ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate?
The InChIKey is NWWFCUOVUVALBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29N3O3/c1-3-27-21-8-6-5-7-19(21)20-15-18(9-10-22(20)27)25-23(28)16-26-13-11-17(12-14-26)24(29)30-4-2/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,25,28)/p+1.
What are the key properties of ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate?
ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate has a molecular weight of 408.52 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 2421643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).