tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate

C24H32N4O4 — CID 166909965

IUPACtert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
SMILESCON(C)C(=O)c1cccc(C2CCC[C@@H](c3ncccc3C)N2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H32N4O4/c1-16-10-9-15-25-21(16)20-14-8-13-19(28(20)23(30)32-24(2,3)4)17-11-7-12-18(26-17)22(29)27(5)31-6/h7,9-12,15,19-20H,8,13-14H2,1-6H3/t19?,20-/m0/s1
InChIKeyDMVILSUYXNHNSH-ANYOKISRSA-N
MW440.54 g/mol
LogP4.62
Rot. Bonds4

About tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate

tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 166909965) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
PubChem CID166909965
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nametert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
SMILESCON(C)C(=O)c1cccc(C2CCC[C@@H](c3ncccc3C)N2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H32N4O4/c1-16-10-9-15-25-21(16)20-14-8-13-19(28(20)23(30)32-24(2,3)4)17-11-7-12-18(26-17)22(29)27(5)31-6/h7,9-12,15,19-20H,8,13-14H2,1-6H3/t19?,20-/m0/s1
InChIKeyDMVILSUYXNHNSH-ANYOKISRSA-N
XLogP4.62
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-(3-chloro-2-pyridinyl)-6-[6-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate
CID 166909960
ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate
CID 162531820
tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
CID 169204008
tert-butyl N-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]prop-2-ynyl]carbamate
CID 155453416
tert-butyl 2-(3-chloro-2-pyridinyl)-6-[6-[(3-fluorosulfanylimidazol-4-yl)methyl]-2-pyridinyl]piperidine-1-carboxylate;ethane
CID 162531615
tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 146556157
tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate
CID 155453348
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
2-[6-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2-pyridinyl]acetamide
CID 162531904
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
tert-butyl 2-[methoxy(methyl)carbamoyl]-5-phenylpyrrolidine-1-carboxylate
CID 87452303
tert-butyl 3-(2-methylpyridine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950392

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate (CID 166909965) is tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate is CON(C)C(=O)c1cccc(C2CCC[C@@H](c3ncccc3C)N2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is DMVILSUYXNHNSH-ANYOKISRSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-16-10-9-15-25-21(16)20-14-8-13-19(28(20)23(30)32-24(2,3)4)17-11-7-12-18(26-17)22(29)27(5)31-6/h7,9-12,15,19-20H,8,13-14H2,1-6H3/t19?,20-/m0/s1.
What are the key properties of tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 166909965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).