(3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C21H26N4O — CID 58324359

IUPAC(3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESC[C@H]1C(=O)Nc2cc(CN3CCC(c4ccccc4)CC3)cnc2N1C
InChIInChI=1S/C21H26N4O/c1-15-21(26)23-19-12-16(13-22-20(19)24(15)2)14-25-10-8-18(9-11-25)17-6-4-3-5-7-17/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyBGVDTDXNDKYCRK-HNNXBMFYSA-N
MW350.47 g/mol
LogP3.24
Rot. Bonds3

About (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one

(3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 58324359) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name(3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID58324359
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESC[C@H]1C(=O)Nc2cc(CN3CCC(c4ccccc4)CC3)cnc2N1C
InChIInChI=1S/C21H26N4O/c1-15-21(26)23-19-12-16(13-22-20(19)24(15)2)14-25-10-8-18(9-11-25)17-6-4-3-5-7-17/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyBGVDTDXNDKYCRK-HNNXBMFYSA-N
XLogP3.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 58324359) is (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one is C[C@H]1C(=O)Nc2cc(CN3CCC(c4ccccc4)CC3)cnc2N1C.
What is the InChIKey of (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is BGVDTDXNDKYCRK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-21(26)23-19-12-16(13-22-20(19)24(15)2)14-25-10-8-18(9-11-25)17-6-4-3-5-7-17/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
(3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 350.47 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 58324359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).