6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione

C9H17N5O2 — CID 91164049

IUPAC6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione
SMILESNC1(N)CC(=O)NC(=O)N1C1CCNCC1
InChIInChI=1S/C9H17N5O2/c10-9(11)5-7(15)13-8(16)14(9)6-1-3-12-4-2-6/h6,12H,1-5,10-11H2,(H,13,15,16)
InChIKeyQQMOLWSDCMHKSJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.75
Rot. Bonds1

About 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione

6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione (PubChem CID 91164049) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione
PubChem CID91164049
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione
SMILESNC1(N)CC(=O)NC(=O)N1C1CCNCC1
InChIInChI=1S/C9H17N5O2/c10-9(11)5-7(15)13-8(16)14(9)6-1-3-12-4-2-6/h6,12H,1-5,10-11H2,(H,13,15,16)
InChIKeyQQMOLWSDCMHKSJ-UHFFFAOYSA-N
XLogP-1.75
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-piperidin-4-ylazetidin-2-one
CID 139026299
1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride
CID 20556253
1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one
CID 105480953
(5R)-1-piperidin-4-yl-7-oxa-1,3-diazaspiro[4.4]nonan-2-one
CID 99727914
6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 82395106
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
CID 168718088
(3R)-3-(cyclopropylmethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one
CID 99728085
3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one
CID 115016261
5-ethyl-1-piperidin-4-ylpyrazolidin-3-one
CID 137367780
1-piperidin-3-yl-1,3-diazinane-2,4-dione
CID 75607085
4-(piperidine-4-carbonyl)piperazine-2,6-dione
CID 66084412
1-piperidin-4-yl-1,4-diazepan-2-one
CID 89310976

Frequently Asked Questions

What is the IUPAC name of 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione (CID 91164049) is 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione is NC1(N)CC(=O)NC(=O)N1C1CCNCC1.
What is the InChIKey of 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione?
The InChIKey is QQMOLWSDCMHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c10-9(11)5-7(15)13-8(16)14(9)6-1-3-12-4-2-6/h6,12H,1-5,10-11H2,(H,13,15,16).
What are the key properties of 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione?
6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione has a molecular weight of 227.27 g/mol, XLogP of -1.75, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 91164049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).