ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate

C24H25N3O3 — CID 49428479

IUPACethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H25N3O3/c1-2-30-24(29)20-16-25-21-11-7-6-10-19(21)22(20)27-14-12-17(13-15-27)23(28)26-18-8-4-3-5-9-18/h3-11,16-17H,2,12-15H2,1H3,(H,26,28)
InChIKeyHMWXHCACWOBMPB-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.27
Rot. Bonds5

About ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate

ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate (PubChem CID 49428479) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate
PubChem CID49428479
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Nameethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H25N3O3/c1-2-30-24(29)20-16-25-21-11-7-6-10-19(21)22(20)27-14-12-17(13-15-27)23(28)26-18-8-4-3-5-9-18/h3-11,16-17H,2,12-15H2,1H3,(H,26,28)
InChIKeyHMWXHCACWOBMPB-UHFFFAOYSA-N
XLogP4.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133305532
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]quinoline-3-carboxylate
CID 133277748
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]quinoline-3-carboxylate
CID 56861128
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
ethyl 4-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]quinoline-3-carboxylate
CID 133334798
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
ethyl 4-[4-(2-methylpropyl)-3-oxopiperazin-1-yl]quinoline-3-carboxylate
CID 133498568

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate (CID 49428479) is ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate?
The InChIKey is HMWXHCACWOBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-30-24(29)20-16-25-21-11-7-6-10-19(21)22(20)27-14-12-17(13-15-27)23(28)26-18-8-4-3-5-9-18/h3-11,16-17H,2,12-15H2,1H3,(H,26,28).
What are the key properties of ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate?
ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 49428479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).