4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine

C22H25N3O2 — CID 99948068

IUPAC4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine
SMILESCCOc1ccc(-c2ccc(CN3CCC[C@H](c4ccncn4)C3)o2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-26-19-7-5-17(6-8-19)22-10-9-20(27-22)15-25-13-3-4-18(14-25)21-11-12-23-16-24-21/h5-12,16,18H,2-4,13-15H2,1H3/t18-/m0/s1
InChIKeyOKWWYQAERVTQFR-SFHVURJKSA-N
MW363.46 g/mol
LogP4.51
Rot. Bonds6

About 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine

4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine (PubChem CID 99948068) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine
PubChem CID99948068
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine
SMILESCCOc1ccc(-c2ccc(CN3CCC[C@H](c4ccncn4)C3)o2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-26-19-7-5-17(6-8-19)22-10-9-20(27-22)15-25-13-3-4-18(14-25)21-11-12-23-16-24-21/h5-12,16,18H,2-4,13-15H2,1H3/t18-/m0/s1
InChIKeyOKWWYQAERVTQFR-SFHVURJKSA-N
XLogP4.51
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine with MolForge

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Related Compounds

2-[4-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]phenoxy]acetic acid
CID 124977007
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
(4R,5S)-7-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165422192
4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine
CID 77079143
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
CID 131891459
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 124946485
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221
5-tert-butyl-3-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95353474

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine (CID 99948068) is 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine is CCOc1ccc(-c2ccc(CN3CCC[C@H](c4ccncn4)C3)o2)cc1.
What is the InChIKey of 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine?
The InChIKey is OKWWYQAERVTQFR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-26-19-7-5-17(6-8-19)22-10-9-20(27-22)15-25-13-3-4-18(14-25)21-11-12-23-16-24-21/h5-12,16,18H,2-4,13-15H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine?
4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine has a molecular weight of 363.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 99948068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).