N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide

C20H28F2N2O3 — CID 49074485

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C20H28F2N2O3/c1-2-13-27-17-5-3-15(4-6-17)18(25)7-8-20(26)23-16-9-11-24(12-10-16)14-19(21)22/h3-6,16,19H,2,7-14H2,1H3,(H,23,26)
InChIKeyUNSBUMHGBSSGPR-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.28
Rot. Bonds10

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 49074485) has the molecular formula C20H28F2N2O3 and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID49074485
Molecular FormulaC20H28F2N2O3
Molecular Weight382.45 g/mol
Exact Mass382.21
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C20H28F2N2O3/c1-2-13-27-17-5-3-15(4-6-17)18(25)7-8-20(26)23-16-9-11-24(12-10-16)14-19(21)22/h3-6,16,19H,2,7-14H2,1H3,(H,23,26)
InChIKeyUNSBUMHGBSSGPR-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide
CID 49074790
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 52517818
3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962113
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 38022224
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 94810319
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide
CID 55389748
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 49074485) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NC2CCN(CC(F)F)CC2)cc1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is UNSBUMHGBSSGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O3/c1-2-13-27-17-5-3-15(4-6-17)18(25)7-8-20(26)23-16-9-11-24(12-10-16)14-19(21)22/h3-6,16,19H,2,7-14H2,1H3,(H,23,26).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 382.45 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 49074485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).