[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate

C13H17N3O3 — CID 175007946

IUPAC[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate
SMILESCN1CCC(C(=O)c2cccc(OC(N)=O)n2)CC1
InChIInChI=1S/C13H17N3O3/c1-16-7-5-9(6-8-16)12(17)10-3-2-4-11(15-10)19-13(14)18/h2-4,9H,5-8H2,1H3,(H2,14,18)
InChIKeySFDUDYAVWLMRHS-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.06
Rot. Bonds3

About [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate

[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate (PubChem CID 175007946) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate
PubChem CID175007946
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate
SMILESCN1CCC(C(=O)c2cccc(OC(N)=O)n2)CC1
InChIInChI=1S/C13H17N3O3/c1-16-7-5-9(6-8-16)12(17)10-3-2-4-11(15-10)19-13(14)18/h2-4,9H,5-8H2,1H3,(H2,14,18)
InChIKeySFDUDYAVWLMRHS-UHFFFAOYSA-N
XLogP1.06
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride
CID 134818199
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;dihydrate;dihydrochloride
CID 163210129
N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 59789355
8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
CID 171943519
1-(5-bromo-2-methoxyphenyl)-2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]ethanone
CID 153008612
formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 155570632
5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 142816904
2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone
CID 147928140
2-(1-methylpiperidine-4-carbonyl)benzoic acid
CID 116836422
1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 84574180
2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
CID 174725091
cyclopropyl-(6-fluoro-2-pyridinyl)methanone
CID 134465722

Frequently Asked Questions

What is the IUPAC name of [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate?
The IUPAC name of [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate (CID 175007946) is [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate.
What is the SMILES notation for [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate?
The canonical SMILES for [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate is CN1CCC(C(=O)c2cccc(OC(N)=O)n2)CC1.
What is the InChIKey of [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate?
The InChIKey is SFDUDYAVWLMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-7-5-9(6-8-16)12(17)10-3-2-4-11(15-10)19-13(14)18/h2-4,9H,5-8H2,1H3,(H2,14,18).
What are the key properties of [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate?
[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate has a molecular weight of 263.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate is sourced from PubChem (CID 175007946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).