3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide

C22H29N3O2 — CID 45206257

IUPAC3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(C)cc(CCC(=O)NCc2cccnc2N2CCCC(O)C2)c1
InChIInChI=1S/C22H29N3O2/c1-16-11-17(2)13-18(12-16)7-8-21(27)24-14-19-5-3-9-23-22(19)25-10-4-6-20(26)15-25/h3,5,9,11-13,20,26H,4,6-8,10,14-15H2,1-2H3,(H,24,27)
InChIKeyBCMARWINSWSHJN-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.91
Rot. Bonds6

About 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide

3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 45206257) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID45206257
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(C)cc(CCC(=O)NCc2cccnc2N2CCCC(O)C2)c1
InChIInChI=1S/C22H29N3O2/c1-16-11-17(2)13-18(12-16)7-8-21(27)24-14-19-5-3-9-23-22(19)25-10-4-6-20(26)15-25/h3,5,9,11-13,20,26H,4,6-8,10,14-15H2,1-2H3,(H,24,27)
InChIKeyBCMARWINSWSHJN-UHFFFAOYSA-N
XLogP2.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide
CID 95219026
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95227914
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 45184288
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42305622
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide (CID 45206257) is 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide is Cc1cc(C)cc(CCC(=O)NCc2cccnc2N2CCCC(O)C2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is BCMARWINSWSHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-11-17(2)13-18(12-16)7-8-21(27)24-14-19-5-3-9-23-22(19)25-10-4-6-20(26)15-25/h3,5,9,11-13,20,26H,4,6-8,10,14-15H2,1-2H3,(H,24,27).
What are the key properties of 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 45206257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).