6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C14H23N3O2 — CID 164634108

IUPAC6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC[C@@]1(C)CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H23N3O2/c1-5-14(2)7-6-8-17(10-14)11-9-12(18)16(4)13(19)15(11)3/h9H,5-8,10H2,1-4H3/t14-/m0/s1
InChIKeyBPWRAHAGUSRRCD-AWEZNQCLSA-N
MW265.36 g/mol
LogP1.10
Rot. Bonds2

About 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 164634108) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID164634108
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC[C@@]1(C)CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H23N3O2/c1-5-14(2)7-6-8-17(10-14)11-9-12(18)16(4)13(19)15(11)3/h9H,5-8,10H2,1-4H3/t14-/m0/s1
InChIKeyBPWRAHAGUSRRCD-AWEZNQCLSA-N
XLogP1.10
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 164634108) is 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is CC[C@@]1(C)CCCN(c2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BPWRAHAGUSRRCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-14(2)7-6-8-17(10-14)11-9-12(18)16(4)13(19)15(11)3/h9H,5-8,10H2,1-4H3/t14-/m0/s1.
What are the key properties of 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-ethyl-3-methylpiperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 164634108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).