3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

C22H35N3O2 — CID 45236973

IUPAC3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC1(C)CC(CN2CCC(CCC(=O)NCc3cccnc3)CC2)CCO1
InChIInChI=1S/C22H35N3O2/c1-22(2)14-19(9-13-27-22)17-25-11-7-18(8-12-25)5-6-21(26)24-16-20-4-3-10-23-15-20/h3-4,10,15,18-19H,5-9,11-14,16-17H2,1-2H3,(H,24,26)
InChIKeyZJIGVHATFLTCCU-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.40
Rot. Bonds7

About 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 45236973) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID45236973
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC1(C)CC(CN2CCC(CCC(=O)NCc3cccnc3)CC2)CCO1
InChIInChI=1S/C22H35N3O2/c1-22(2)14-19(9-13-27-22)17-25-11-7-18(8-12-25)5-6-21(26)24-16-20-4-3-10-23-15-20/h3-4,10,15,18-19H,5-9,11-14,16-17H2,1-2H3,(H,24,26)
InChIKeyZJIGVHATFLTCCU-UHFFFAOYSA-N
XLogP3.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42521304
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42595602
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42288785
N-(pyridin-3-ylmethyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
CID 25288418
N-(3-chloro-4-fluorophenyl)-3-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]propanamide
CID 42473310
1-[(2,2-dimethyloxan-4-yl)methyl]-4-pyridin-3-ylpiperazine
CID 77080780
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 45190596
3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 25289998
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
3-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56858466
3-piperidin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62209973

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 45236973) is 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is CC1(C)CC(CN2CCC(CCC(=O)NCc3cccnc3)CC2)CCO1.
What is the InChIKey of 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is ZJIGVHATFLTCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-22(2)14-19(9-13-27-22)17-25-11-7-18(8-12-25)5-6-21(26)24-16-20-4-3-10-23-15-20/h3-4,10,15,18-19H,5-9,11-14,16-17H2,1-2H3,(H,24,26).
What are the key properties of 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 373.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 45236973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).