N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide

C19H24FN3O — CID 118767116

IUPACN-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide
SMILESCCC(C(=O)NC1CCN(c2ccc(F)cc2)CC1)n1cccc1
InChIInChI=1S/C19H24FN3O/c1-2-18(23-11-3-4-12-23)19(24)21-16-9-13-22(14-10-16)17-7-5-15(20)6-8-17/h3-8,11-12,16,18H,2,9-10,13-14H2,1H3,(H,21,24)
InChIKeyJBWJMHCSPYSUEX-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide

N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide (PubChem CID 118767116) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide
PubChem CID118767116
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide
SMILESCCC(C(=O)NC1CCN(c2ccc(F)cc2)CC1)n1cccc1
InChIInChI=1S/C19H24FN3O/c1-2-18(23-11-3-4-12-23)19(24)21-16-9-13-22(14-10-16)17-7-5-15(20)6-8-17/h3-8,11-12,16,18H,2,9-10,13-14H2,1H3,(H,21,24)
InChIKeyJBWJMHCSPYSUEX-UHFFFAOYSA-N
XLogP3.36
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide
CID 162628209
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide
CID 91255983
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 124846478
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 118786399
N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide
CID 56867451
1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51093269

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide (CID 118767116) is N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide is CCC(C(=O)NC1CCN(c2ccc(F)cc2)CC1)n1cccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide?
The InChIKey is JBWJMHCSPYSUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-18(23-11-3-4-12-23)19(24)21-16-9-13-22(14-10-16)17-7-5-15(20)6-8-17/h3-8,11-12,16,18H,2,9-10,13-14H2,1H3,(H,21,24).
What are the key properties of N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide?
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide has a molecular weight of 329.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 118767116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).