1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

C16H22FN3O2 — CID 119314607

IUPAC1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESNCCCC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O2/c17-13-3-5-14(6-4-13)19-16(22)12-7-10-20(11-8-12)15(21)2-1-9-18/h3-6,12H,1-2,7-11,18H2,(H,19,22)
InChIKeyYENCJEFCFKOMEI-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.74
Rot. Bonds5

About 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 119314607) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID119314607
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESNCCCC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O2/c17-13-3-5-14(6-4-13)19-16(22)12-7-10-20(11-8-12)15(21)2-1-9-18/h3-6,12H,1-2,7-11,18H2,(H,19,22)
InChIKeyYENCJEFCFKOMEI-UHFFFAOYSA-N
XLogP1.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768106
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119314744
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 120791566
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120791565

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 119314607) is 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide is NCCCC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is YENCJEFCFKOMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-13-3-5-14(6-4-13)19-16(22)12-7-10-20(11-8-12)15(21)2-1-9-18/h3-6,12H,1-2,7-11,18H2,(H,19,22).
What are the key properties of 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119314607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).