(1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid

C10H14N4O2 — CID 22394346

IUPAC(1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid
SMILESO=C(O)NC1CCN(c2ccncn2)CC1
InChIInChI=1S/C10H14N4O2/c15-10(16)13-8-2-5-14(6-3-8)9-1-4-11-7-12-9/h1,4,7-8,13H,2-3,5-6H2,(H,15,16)
InChIKeyYINZRDBDODYQQV-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.71
Rot. Bonds2

About (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid

(1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid (PubChem CID 22394346) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid
PubChem CID22394346
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid
SMILESO=C(O)NC1CCN(c2ccncn2)CC1
InChIInChI=1S/C10H14N4O2/c15-10(16)13-8-2-5-14(6-3-8)9-1-4-11-7-12-9/h1,4,7-8,13H,2-3,5-6H2,(H,15,16)
InChIKeyYINZRDBDODYQQV-UHFFFAOYSA-N
XLogP0.71
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid?
The IUPAC name of (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid (CID 22394346) is (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid is O=C(O)NC1CCN(c2ccncn2)CC1.
What is the InChIKey of (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid?
The InChIKey is YINZRDBDODYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-10(16)13-8-2-5-14(6-3-8)9-1-4-11-7-12-9/h1,4,7-8,13H,2-3,5-6H2,(H,15,16).
What are the key properties of (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid?
(1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid has a molecular weight of 222.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 22394346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).