N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide

C24H27ClF2N2O3 — CID 154871604

IUPACN-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide
SMILESCC(CC(=O)NC1CCN(C(=O)CC(O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H27ClF2N2O3/c1-15(17-4-7-20(26)21(27)13-17)12-23(31)28-19-8-10-29(11-9-19)24(32)14-22(30)16-2-5-18(25)6-3-16/h2-7,13,15,19,22,30H,8-12,14H2,1H3,(H,28,31)
InChIKeyGWZIZRWKVVHOIF-UHFFFAOYSA-N
MW464.94 g/mol
LogP4.34
Rot. Bonds7

About N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide

N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide (PubChem CID 154871604) has the molecular formula C24H27ClF2N2O3 and a molecular weight of 464.94 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide
PubChem CID154871604
Molecular FormulaC24H27ClF2N2O3
Molecular Weight464.94 g/mol
Exact Mass464.17
IUPAC NameN-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide
SMILESCC(CC(=O)NC1CCN(C(=O)CC(O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H27ClF2N2O3/c1-15(17-4-7-20(26)21(27)13-17)12-23(31)28-19-8-10-29(11-9-19)24(32)14-22(30)16-2-5-18(25)6-3-16/h2-7,13,15,19,22,30H,8-12,14H2,1H3,(H,28,31)
InChIKeyGWZIZRWKVVHOIF-UHFFFAOYSA-N
XLogP4.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.94
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[1-[3-(3,4-difluorophenyl)butanoyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 154856805
ethyl 4-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 51728637
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 49438404
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301
N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8639280
N-cyclopropyl-2-[4-[3-(4-fluorophenyl)butanoyl]piperazin-1-yl]-2-oxoacetamide
CID 55923503
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 52767566
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
4-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzoic acid
CID 24745154
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide (CID 154871604) is N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide is CC(CC(=O)NC1CCN(C(=O)CC(O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide?
The InChIKey is GWZIZRWKVVHOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N2O3/c1-15(17-4-7-20(26)21(27)13-17)12-23(31)28-19-8-10-29(11-9-19)24(32)14-22(30)16-2-5-18(25)6-3-16/h2-7,13,15,19,22,30H,8-12,14H2,1H3,(H,28,31).
What are the key properties of N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide?
N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide has a molecular weight of 464.94 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-3-hydroxypropanoyl]piperidin-4-yl]-3-(3,4-difluorophenyl)butanamide is sourced from PubChem (CID 154871604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).