3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide

C21H26FN3O — CID 131927225

IUPAC3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCNC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O/c1-16-6-2-4-8-19(16)24-21(26)10-13-23-17-11-14-25(15-12-17)20-9-5-3-7-18(20)22/h2-9,17,23H,10-15H2,1H3,(H,24,26)
InChIKeyOYHCHFLQNZJVSJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.72
Rot. Bonds6

About 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide

3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide (PubChem CID 131927225) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide
PubChem CID131927225
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCNC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O/c1-16-6-2-4-8-19(16)24-21(26)10-13-23-17-11-14-25(15-12-17)20-9-5-3-7-18(20)22/h2-9,17,23H,10-15H2,1H3,(H,24,26)
InChIKeyOYHCHFLQNZJVSJ-UHFFFAOYSA-N
XLogP3.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
N-(2,3-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950685
ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028976
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650
ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028946
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475
2-[[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]amino]-N-(2-methylphenyl)acetamide
CID 56706649
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide (CID 131927225) is 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCNC1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide?
The InChIKey is OYHCHFLQNZJVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16-6-2-4-8-19(16)24-21(26)10-13-23-17-11-14-25(15-12-17)20-9-5-3-7-18(20)22/h2-9,17,23H,10-15H2,1H3,(H,24,26).
What are the key properties of 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide?
3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 131927225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).