methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate

C22H27N3O3 — CID 24792970

IUPACmethyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)nc1
InChIInChI=1S/C22H27N3O3/c1-15(2)16-6-9-18(10-7-16)24-19-5-4-12-25(14-19)21(26)20-11-8-17(13-23-20)22(27)28-3/h6-11,13,15,19,24H,4-5,12,14H2,1-3H3
InChIKeyUOHNLLHNAOMTEH-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.71
Rot. Bonds5

About methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate

methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 24792970) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID24792970
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Namemethyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)nc1
InChIInChI=1S/C22H27N3O3/c1-15(2)16-6-9-18(10-7-16)24-19-5-4-12-25(14-19)21(26)20-11-8-17(13-23-20)22(27)28-3/h6-11,13,15,19,24H,4-5,12,14H2,1-3H3
InChIKeyUOHNLLHNAOMTEH-UHFFFAOYSA-N
XLogP3.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
CID 24817805
[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 26392166
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42240610
(2-amino-1,3-benzothiazol-5-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42098998
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 95718612

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate (CID 24792970) is methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)nc1.
What is the InChIKey of methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is UOHNLLHNAOMTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15(2)16-6-9-18(10-7-16)24-19-5-4-12-25(14-19)21(26)20-11-8-17(13-23-20)22(27)28-3/h6-11,13,15,19,24H,4-5,12,14H2,1-3H3.
What are the key properties of methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 24792970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).