2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

C18H28N4O — CID 95880803

IUPAC2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
SMILESCc1ncc2c(c1CNC(=O)C[C@@H]1CCCCN1C)CCNC2
InChIInChI=1S/C18H28N4O/c1-13-17(16-6-7-19-10-14(16)11-20-13)12-21-18(23)9-15-5-3-4-8-22(15)2/h11,15,19H,3-10,12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyOIWWFFNNIFNGGT-HNNXBMFYSA-N
MW316.45 g/mol
LogP1.53
Rot. Bonds4

About 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide (PubChem CID 95880803) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
PubChem CID95880803
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
SMILESCc1ncc2c(c1CNC(=O)C[C@@H]1CCCCN1C)CCNC2
InChIInChI=1S/C18H28N4O/c1-13-17(16-6-7-19-10-14(16)11-20-13)12-21-18(23)9-15-5-3-4-8-22(15)2/h11,15,19H,3-10,12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyOIWWFFNNIFNGGT-HNNXBMFYSA-N
XLogP1.53
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide (CID 95880803) is 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide is Cc1ncc2c(c1CNC(=O)C[C@@H]1CCCCN1C)CCNC2.
What is the InChIKey of 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The InChIKey is OIWWFFNNIFNGGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13-17(16-6-7-19-10-14(16)11-20-13)12-21-18(23)9-15-5-3-4-8-22(15)2/h11,15,19H,3-10,12H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 95880803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).