methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid

C12H17N3O2 — CID 68632651

IUPACmethyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid
SMILESCN(C(=O)O)C1(c2ccncc2)CCNCC1
InChIInChI=1S/C12H17N3O2/c1-15(11(16)17)12(4-8-14-9-5-12)10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyQZRLIDOWSHWUIQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.27
Rot. Bonds2

About methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid

methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid (PubChem CID 68632651) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Namemethyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid
PubChem CID68632651
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid
SMILESCN(C(=O)O)C1(c2ccncc2)CCNCC1
InChIInChI=1S/C12H17N3O2/c1-15(11(16)17)12(4-8-14-9-5-12)10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyQZRLIDOWSHWUIQ-UHFFFAOYSA-N
XLogP1.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid?
The IUPAC name of methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid (CID 68632651) is methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid?
The canonical SMILES for methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid is CN(C(=O)O)C1(c2ccncc2)CCNCC1.
What is the InChIKey of methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid?
The InChIKey is QZRLIDOWSHWUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(11(16)17)12(4-8-14-9-5-12)10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid?
methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid has a molecular weight of 235.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 68632651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).