3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide

C24H36FN3O3 — CID 69142014

IUPAC3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C24H36FN3O3/c1-4-11-28(24(30)20-5-6-22(31-3)21(25)16-20)17-23(29)27-14-9-19(10-15-27)18-7-12-26(2)13-8-18/h5-6,16,18-19H,4,7-15,17H2,1-3H3
InChIKeyIXCKRKOTHVNALI-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.27
Rot. Bonds7

About 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide

3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide (PubChem CID 69142014) has the molecular formula C24H36FN3O3 and a molecular weight of 433.57 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
PubChem CID69142014
Molecular FormulaC24H36FN3O3
Molecular Weight433.57 g/mol
Exact Mass433.27
IUPAC Name3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C24H36FN3O3/c1-4-11-28(24(30)20-5-6-22(31-3)21(25)16-20)17-23(29)27-14-9-19(10-15-27)18-7-12-26(2)13-8-18/h5-6,16,18-19H,4,7-15,17H2,1-3H3
InChIKeyIXCKRKOTHVNALI-UHFFFAOYSA-N
XLogP3.27
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide with MolForge

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Related Compounds

4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 69141376
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride
CID 69143063
3-fluoro-4-methoxy-N-propyl-N-prop-2-ynylbenzamide
CID 78970638
6-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 69142050
3-[ethyl-(3-fluoro-4-methoxybenzoyl)amino]propanoic acid
CID 54898966
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
CID 115532616
1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
CID 46335596
N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42832436
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide (CID 69142014) is 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide?
The InChIKey is IXCKRKOTHVNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3O3/c1-4-11-28(24(30)20-5-6-22(31-3)21(25)16-20)17-23(29)27-14-9-19(10-15-27)18-7-12-26(2)13-8-18/h5-6,16,18-19H,4,7-15,17H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide?
3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide has a molecular weight of 433.57 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 69142014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).