(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one

C17H27N5O — CID 67470730

IUPAC(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one
SMILESCCc1cnc(N2CCC(N3CCC[C@H](NC)C3=O)CC2)nc1
InChIInChI=1S/C17H27N5O/c1-3-13-11-19-17(20-12-13)21-9-6-14(7-10-21)22-8-4-5-15(18-2)16(22)23/h11-12,14-15,18H,3-10H2,1-2H3/t15-/m0/s1
InChIKeyGSWZJQXEYUEHNO-HNNXBMFYSA-N
MW317.44 g/mol
LogP1.22
Rot. Bonds4

About (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one

(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one (PubChem CID 67470730) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one
PubChem CID67470730
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one
SMILESCCc1cnc(N2CCC(N3CCC[C@H](NC)C3=O)CC2)nc1
InChIInChI=1S/C17H27N5O/c1-3-13-11-19-17(20-12-13)21-9-6-14(7-10-21)22-8-4-5-15(18-2)16(22)23/h11-12,14-15,18H,3-10H2,1-2H3/t15-/m0/s1
InChIKeyGSWZJQXEYUEHNO-HNNXBMFYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one?
The IUPAC name of (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one (CID 67470730) is (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one.
What is the SMILES notation for (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one?
The canonical SMILES for (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one is CCc1cnc(N2CCC(N3CCC[C@H](NC)C3=O)CC2)nc1.
What is the InChIKey of (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one?
The InChIKey is GSWZJQXEYUEHNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-3-13-11-19-17(20-12-13)21-9-6-14(7-10-21)22-8-4-5-15(18-2)16(22)23/h11-12,14-15,18H,3-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one?
(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one has a molecular weight of 317.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 67470730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).