ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate

C18H21N3O3 — CID 150911210

IUPACethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCC(C(N)=O)CC3)cc2c1
InChIInChI=1S/C18H21N3O3/c1-2-24-18(23)14-9-13-10-15(3-4-16(13)20-11-14)21-7-5-12(6-8-21)17(19)22/h3-4,9-12H,2,5-8H2,1H3,(H2,19,22)
InChIKeyLCAKDUZUUJHFSP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.11
Rot. Bonds4

About ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate

ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate (PubChem CID 150911210) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
PubChem CID150911210
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCC(C(N)=O)CC3)cc2c1
InChIInChI=1S/C18H21N3O3/c1-2-24-18(23)14-9-13-10-15(3-4-16(13)20-11-14)21-7-5-12(6-8-21)17(19)22/h3-4,9-12H,2,5-8H2,1H3,(H2,19,22)
InChIKeyLCAKDUZUUJHFSP-UHFFFAOYSA-N
XLogP2.11
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261
ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate
CID 150591604
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
CID 68603079
ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate
CID 63180358
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
1-[2-(4-methoxyphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 67218664
1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
CID 119126304
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
CID 68842869
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 172755774
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
CID 83122876

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate (CID 150911210) is ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(N3CCC(C(N)=O)CC3)cc2c1.
What is the InChIKey of ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate?
The InChIKey is LCAKDUZUUJHFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-24-18(23)14-9-13-10-15(3-4-16(13)20-11-14)21-7-5-12(6-8-21)17(19)22/h3-4,9-12H,2,5-8H2,1H3,(H2,19,22).
What are the key properties of ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate?
ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate is sourced from PubChem (CID 150911210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).