CID 59303856

C11H13N3O — CID 59303856

IUPAC—
SMILES[CH]C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H13N3O/c1-9(15)10-3-7-14(8-4-10)11-12-5-2-6-13-11/h1-2,5-6,10H,3-4,7-8H2
InChIKeyMVZSADPRGQFVAC-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.97
Rot. Bonds2

About CID 59303856

CID 59303856 (PubChem CID 59303856) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol.

Molecular Properties

Compound NameCID 59303856
PubChem CID59303856
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name—
SMILES[CH]C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H13N3O/c1-9(15)10-3-7-14(8-4-10)11-12-5-2-6-13-11/h1-2,5-6,10H,3-4,7-8H2
InChIKeyMVZSADPRGQFVAC-UHFFFAOYSA-N
XLogP0.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
2-(Piperidin-1-yl)pyrimidine
CID 11446518
2-[[1-(Cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
CID 45265071
1-(4-Chloropyrimidin-2-yl)piperidine-4-carboxamide
CID 46907729
1-Pyrimidin-2-ylpiperidine-2,6-dione
CID 78323765
1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
1-(2-Pyrimidinyl)-4-piperidinemethanamine
CID 10631607
1-(2-Pyrimidinyl)tetrahydro-4(1H)-pyridinone
CID 1478856
2-Chloro-4-(4-methylpiperidin-1-yl)pyrimidine
CID 21939227
1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 45789847
1-(Pyrimidin-2-yl)piperidine-4-carbaldehyde
CID 62664150

Frequently Asked Questions

What is the IUPAC name of CID 59303856?
The IUPAC name of CID 59303856 (CID 59303856) is not available.
What is the SMILES notation for CID 59303856?
The canonical SMILES for CID 59303856 is [CH]C(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of CID 59303856?
The InChIKey is MVZSADPRGQFVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(15)10-3-7-14(8-4-10)11-12-5-2-6-13-11/h1-2,5-6,10H,3-4,7-8H2.
What are the key properties of CID 59303856?
CID 59303856 has a molecular weight of 203.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303856 is sourced from PubChem (CID 59303856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).