N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide

C26H34FN3O2 — CID 175358904

IUPACN-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CCN1CCC(N(C(=O)CC)c2ccc(C)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H34FN3O2/c1-4-25(31)29(22-12-8-21(27)9-13-22)19-18-28-16-14-24(15-17-28)30(26(32)5-2)23-10-6-20(3)7-11-23/h6-13,24H,4-5,14-19H2,1-3H3
InChIKeyVVCRQZLKMHDDNI-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.78
Rot. Bonds8

About N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide

N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide (PubChem CID 175358904) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide
PubChem CID175358904
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC NameN-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CCN1CCC(N(C(=O)CC)c2ccc(C)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H34FN3O2/c1-4-25(31)29(22-12-8-21(27)9-13-22)19-18-28-16-14-24(15-17-28)30(26(32)5-2)23-10-6-20(3)7-11-23/h6-13,24H,4-5,14-19H2,1-3H3
InChIKeyVVCRQZLKMHDDNI-UHFFFAOYSA-N
XLogP4.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 156782583
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)propanamide
CID 46161886
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide
CID 42858289
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 46047958
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46052014

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide (CID 175358904) is N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide is CCC(=O)N(CCN1CCC(N(C(=O)CC)c2ccc(C)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide?
The InChIKey is VVCRQZLKMHDDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O2/c1-4-25(31)29(22-12-8-21(27)9-13-22)19-18-28-16-14-24(15-17-28)30(26(32)5-2)23-10-6-20(3)7-11-23/h6-13,24H,4-5,14-19H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide?
N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide has a molecular weight of 439.58 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[2-[4-(4-methyl-N-propanoylanilino)piperidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 175358904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).