6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione

C10H16ClN3O2 — CID 72805643

IUPAC6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CC(Cl)NC(=O)N1CC1CCNCC1
InChIInChI=1S/C10H16ClN3O2/c11-8-5-9(15)14(10(16)13-8)6-7-1-3-12-4-2-7/h7-8,12H,1-6H2,(H,13,16)
InChIKeyMLBSAGIYOKHAFY-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.49
Rot. Bonds2

About 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione

6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione (PubChem CID 72805643) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione
PubChem CID72805643
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CC(Cl)NC(=O)N1CC1CCNCC1
InChIInChI=1S/C10H16ClN3O2/c11-8-5-9(15)14(10(16)13-8)6-7-1-3-12-4-2-7/h7-8,12H,1-6H2,(H,13,16)
InChIKeyMLBSAGIYOKHAFY-UHFFFAOYSA-N
XLogP0.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-propyl-1,3-diazinane-2,4-dione
CID 78201033
5-(2-methylsulfanylethyl)-3-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 82148838
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one
CID 117029876
(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
CID 129493814
1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride
CID 120848820
5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one
CID 84645182
4-(piperidin-4-ylmethyl)morpholin-3-one
CID 79469503
4-(2-piperidin-4-ylethyl)morpholine-3,5-dione
CID 61327774
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
2-(piperidin-4-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79941253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione (CID 72805643) is 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione is O=C1CC(Cl)NC(=O)N1CC1CCNCC1.
What is the InChIKey of 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione?
The InChIKey is MLBSAGIYOKHAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c11-8-5-9(15)14(10(16)13-8)6-7-1-3-12-4-2-7/h7-8,12H,1-6H2,(H,13,16).
What are the key properties of 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione?
6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione has a molecular weight of 245.71 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(piperidin-4-ylmethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 72805643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).