methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate

C13H19N3O2 — CID 86263533

IUPACmethyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
SMILESCOC(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)15-10-11-4-8-16(9-5-11)12-2-6-14-7-3-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,17)
InChIKeyGVZVOTYWCGODPF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.65
Rot. Bonds3

About methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate

methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate (PubChem CID 86263533) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
PubChem CID86263533
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
SMILESCOC(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)15-10-11-4-8-16(9-5-11)12-2-6-14-7-3-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,17)
InChIKeyGVZVOTYWCGODPF-UHFFFAOYSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate (CID 86263533) is methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate is COC(=O)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate?
The InChIKey is GVZVOTYWCGODPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(17)15-10-11-4-8-16(9-5-11)12-2-6-14-7-3-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,17).
What are the key properties of methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate?
methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 86263533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).