N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide

C22H35FN4O2 — CID 86959410

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)N2CCN(C3CCCN(C)C3)CC2)cc1F
InChIInChI=1S/C22H35FN4O2/c1-17(22(28)25(3)15-18-7-8-21(29-4)20(23)14-18)26-10-12-27(13-11-26)19-6-5-9-24(2)16-19/h7-8,14,17,19H,5-6,9-13,15-16H2,1-4H3
InChIKeyRUVGGWNSVXUQNW-UHFFFAOYSA-N
MW406.55 g/mol
LogP1.89
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide (PubChem CID 86959410) has the molecular formula C22H35FN4O2 and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
PubChem CID86959410
Molecular FormulaC22H35FN4O2
Molecular Weight406.55 g/mol
Exact Mass406.27
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)N2CCN(C3CCCN(C)C3)CC2)cc1F
InChIInChI=1S/C22H35FN4O2/c1-17(22(28)25(3)15-18-7-8-21(29-4)20(23)14-18)26-10-12-27(13-11-26)19-6-5-9-24(2)16-19/h7-8,14,17,19H,5-6,9-13,15-16H2,1-4H3
InChIKeyRUVGGWNSVXUQNW-UHFFFAOYSA-N
XLogP1.89
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110884207
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918143
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]propanamide
CID 86879216
(2S)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 9451586
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8721373
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
3-(3-bromo-4-methoxyphenyl)-1-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propan-1-one
CID 86958356
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 94453979
N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795729
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpentyl)urea
CID 134006475
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 92801693

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide (CID 86959410) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide is COc1ccc(CN(C)C(=O)C(C)N2CCN(C3CCCN(C)C3)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide?
The InChIKey is RUVGGWNSVXUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN4O2/c1-17(22(28)25(3)15-18-7-8-21(29-4)20(23)14-18)26-10-12-27(13-11-26)19-6-5-9-24(2)16-19/h7-8,14,17,19H,5-6,9-13,15-16H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide has a molecular weight of 406.55 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86959410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).