3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide

C23H28F2N2O3 — CID 26401672

IUPAC3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CC[C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)cc(OC)c1
InChIInChI=1S/C23H28F2N2O3/c1-29-21-11-20(12-22(13-21)30-2)26-23(28)6-5-16-4-3-7-27(14-16)15-17-8-18(24)10-19(25)9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyGFHCNDRVOIKEPP-INIZCTEOSA-N
MW418.48 g/mol
LogP4.61
Rot. Bonds8

About 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide

3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 26401672) has the molecular formula C23H28F2N2O3 and a molecular weight of 418.48 g/mol. Its IUPAC name is 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID26401672
Molecular FormulaC23H28F2N2O3
Molecular Weight418.48 g/mol
Exact Mass418.21
IUPAC Name3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CC[C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)cc(OC)c1
InChIInChI=1S/C23H28F2N2O3/c1-29-21-11-20(12-22(13-21)30-2)26-23(28)6-5-16-4-3-7-27(14-16)15-17-8-18(24)10-19(25)9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyGFHCNDRVOIKEPP-INIZCTEOSA-N
XLogP4.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25457122
3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 45202621
methyl 4-[(3R)-3-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 25476827
N-(3,5-dimethoxyphenyl)-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171337842
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 42517122
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45243662
methyl 4-[[(3R)-3-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]piperidin-1-yl]methyl]benzoate
CID 26323020
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26327141
3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26395981
N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
CID 72934496
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide (CID 26401672) is 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CC[C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)cc(OC)c1.
What is the InChIKey of 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is GFHCNDRVOIKEPP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28F2N2O3/c1-29-21-11-20(12-22(13-21)30-2)26-23(28)6-5-16-4-3-7-27(14-16)15-17-8-18(24)10-19(25)9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide?
3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 418.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 26401672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).