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

C23H29FN2O — CID 100513980

IUPAC3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
SMILESC[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3F)cc2)C1
InChIInChI=1S/C23H29FN2O/c1-17-6-5-15-26(16-17)21-12-9-19(10-13-21)18(2)25-23(27)14-11-20-7-3-4-8-22(20)24/h3-4,7-10,12-13,17-18H,5-6,11,14-16H2,1-2H3,(H,25,27)/t17-,18-/m1/s1
InChIKeyRWTOMQYLITXHSN-QZTJIDSGSA-N
MW368.50 g/mol
LogP4.87
Rot. Bonds6

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

3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide (PubChem CID 100513980) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
PubChem CID100513980
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
SMILESC[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3F)cc2)C1
InChIInChI=1S/C23H29FN2O/c1-17-6-5-15-26(16-17)21-12-9-19(10-13-21)18(2)25-23(27)14-11-20-7-3-4-8-22(20)24/h3-4,7-10,12-13,17-18H,5-6,11,14-16H2,1-2H3,(H,25,27)/t17-,18-/m1/s1
InChIKeyRWTOMQYLITXHSN-QZTJIDSGSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132654688
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
3-(3,4-dichlorophenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 133220736
2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43892799
2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 100637147
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125044041
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125042550
3-(4-methylphenyl)sulfanyl-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660585
2-(3-bromophenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125058838
4-(4-chlorophenyl)sulfanyl-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125042875

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide (CID 100513980) is 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide is C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3F)cc2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The InChIKey is RWTOMQYLITXHSN-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-17-6-5-15-26(16-17)21-12-9-19(10-13-21)18(2)25-23(27)14-11-20-7-3-4-8-22(20)24/h3-4,7-10,12-13,17-18H,5-6,11,14-16H2,1-2H3,(H,25,27)/t17-,18-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide has a molecular weight of 368.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide is sourced from PubChem (CID 100513980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).