3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide

C20H30FN3O — CID 25377297

IUPAC3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)CCc3ccccc3F)C2)CC1
InChIInChI=1S/C20H30FN3O/c1-23-13-10-18(11-14-23)24-12-4-6-17(15-24)22-20(25)9-8-16-5-2-3-7-19(16)21/h2-3,5,7,17-18H,4,6,8-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyFDLZXDFVJXWCBU-QGZVFWFLSA-N
MW347.48 g/mol
LogP2.43
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide

3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 25377297) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
PubChem CID25377297
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)CCc3ccccc3F)C2)CC1
InChIInChI=1S/C20H30FN3O/c1-23-13-10-18(11-14-23)24-12-4-6-17(15-24)22-20(25)9-8-16-5-2-3-7-19(16)21/h2-3,5,7,17-18H,4,6,8-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyFDLZXDFVJXWCBU-QGZVFWFLSA-N
XLogP2.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29085480
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
CID 110822027
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide (CID 25377297) is 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide is CN1CCC(N2CCC[C@@H](NC(=O)CCc3ccccc3F)C2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is FDLZXDFVJXWCBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-23-13-10-18(11-14-23)24-12-4-6-17(15-24)22-20(25)9-8-16-5-2-3-7-19(16)21/h2-3,5,7,17-18H,4,6,8-15H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide?
3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 347.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 25377297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).