carbamic acid;bis(piperidine)

C12H28N4O4 — CID 70442266

IUPACcarbamic acid;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.NC(=O)O.NC(=O)O
InChIInChI=1S/2C5H11N.2CH3NO2/c2*1-2-4-6-5-3-1;2*2-1(3)4/h2*6H,1-5H2;2*2H2,(H,3,4)
InChIKeyHYINBASFXFWSSQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.77
Rot. Bonds

About carbamic acid;bis(piperidine)

carbamic acid;bis(piperidine) (PubChem CID 70442266) has the molecular formula C12H28N4O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is carbamic acid;bis(piperidine).

Molecular Properties

Compound Namecarbamic acid;bis(piperidine)
PubChem CID70442266
Molecular FormulaC12H28N4O4
Molecular Weight292.38 g/mol
Exact Mass292.21
IUPAC Namecarbamic acid;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.NC(=O)O.NC(=O)O
InChIInChI=1S/2C5H11N.2CH3NO2/c2*1-2-4-6-5-3-1;2*2-1(3)4/h2*6H,1-5H2;2*2H2,(H,3,4)
InChIKeyHYINBASFXFWSSQ-UHFFFAOYSA-N
XLogP0.77
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 50.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;bis(piperidine)?
The IUPAC name of carbamic acid;bis(piperidine) (CID 70442266) is carbamic acid;bis(piperidine).
What is the SMILES notation for carbamic acid;bis(piperidine)?
The canonical SMILES for carbamic acid;bis(piperidine) is C1CCNCC1.C1CCNCC1.NC(=O)O.NC(=O)O.
What is the InChIKey of carbamic acid;bis(piperidine)?
The InChIKey is HYINBASFXFWSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.2CH3NO2/c2*1-2-4-6-5-3-1;2*2-1(3)4/h2*6H,1-5H2;2*2H2,(H,3,4).
What are the key properties of carbamic acid;bis(piperidine)?
carbamic acid;bis(piperidine) has a molecular weight of 292.38 g/mol, XLogP of 0.77, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;bis(piperidine) is sourced from PubChem (CID 70442266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).