ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate

C24H30ClN3O3 — CID 24751145

IUPACethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c(Cl)c1
InChIInChI=1S/C24H30ClN3O3/c1-5-31-23(30)17-14-20(25)21(26-15-17)28-12-10-16(11-13-28)22(29)27-19-8-6-18(7-9-19)24(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,29)
InChIKeyGMFJDRYKAXJYLK-UHFFFAOYSA-N
MW443.98 g/mol
LogP5.06
Rot. Bonds5

About ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate

ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate (PubChem CID 24751145) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate
PubChem CID24751145
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Nameethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c(Cl)c1
InChIInChI=1S/C24H30ClN3O3/c1-5-31-23(30)17-14-20(25)21(26-15-17)28-12-10-16(11-13-28)22(29)27-19-8-6-18(7-9-19)24(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,29)
InChIKeyGMFJDRYKAXJYLK-UHFFFAOYSA-N
XLogP5.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.98
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-chloro-6-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 24750878
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
CID 68842869
ethyl 5-chloro-6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 11620159
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 55895494
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 9210826
ethyl 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]benzoate
CID 9228267
(3S,4S)-N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3-hydroxypiperidine-4-carboxamide
CID 69222113
ethyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26253148
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
CID 60521716
N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367968
N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367975
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate (CID 24751145) is ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate is CCOC(=O)c1cnc(N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c(Cl)c1.
What is the InChIKey of ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate?
The InChIKey is GMFJDRYKAXJYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-5-31-23(30)17-14-20(25)21(26-15-17)28-12-10-16(11-13-28)22(29)27-19-8-6-18(7-9-19)24(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,29).
What are the key properties of ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate?
ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate has a molecular weight of 443.98 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate is sourced from PubChem (CID 24751145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).