3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

C24H29FN2O3 — CID 42195877

IUPAC3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3ccccc3F)C2)c(C)c1
InChIInChI=1S/C24H29FN2O3/c1-17-14-20(30-2)10-11-22(17)26-23(28)12-9-18-6-5-13-27(16-18)24(29)15-19-7-3-4-8-21(19)25/h3-4,7-8,10-11,14,18H,5-6,9,12-13,15-16H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyBJTGRBSVHONBBP-GOSISDBHSA-N
MW412.51 g/mol
LogP4.34
Rot. Bonds7

About 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (PubChem CID 42195877) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
PubChem CID42195877
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3ccccc3F)C2)c(C)c1
InChIInChI=1S/C24H29FN2O3/c1-17-14-20(30-2)10-11-22(17)26-23(28)12-9-18-6-5-13-27(16-18)24(29)15-19-7-3-4-8-21(19)25/h3-4,7-8,10-11,14,18H,5-6,9,12-13,15-16H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyBJTGRBSVHONBBP-GOSISDBHSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45200068
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25486755
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 25301291
N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 45193218
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
CID 26399957
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (CID 42195877) is 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3ccccc3F)C2)c(C)c1.
What is the InChIKey of 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The InChIKey is BJTGRBSVHONBBP-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-17-14-20(30-2)10-11-22(17)26-23(28)12-9-18-6-5-13-27(16-18)24(29)15-19-7-3-4-8-21(19)25/h3-4,7-8,10-11,14,18H,5-6,9,12-13,15-16H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide has a molecular weight of 412.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 42195877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).