(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

C13H16FN3O2 — CID 7333045

IUPAC(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FN3O2/c14-10-3-5-11(6-4-10)16-13(19)17-7-1-2-9(8-17)12(15)18/h3-6,9H,1-2,7-8H2,(H2,15,18)(H,16,19)/t9-/m0/s1
InChIKeyHSUUJYDTDMJAPD-VIFPVBQESA-N
MW265.29 g/mol
LogP1.55
Rot. Bonds2

About (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 7333045) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
PubChem CID7333045
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FN3O2/c14-10-3-5-11(6-4-10)16-13(19)17-7-1-2-9(8-17)12(15)18/h3-6,9H,1-2,7-8H2,(H2,15,18)(H,16,19)/t9-/m0/s1
InChIKeyHSUUJYDTDMJAPD-VIFPVBQESA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
CID 9085378
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686700
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (CID 7333045) is (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is HSUUJYDTDMJAPD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-10-3-5-11(6-4-10)16-13(19)17-7-1-2-9(8-17)12(15)18/h3-6,9H,1-2,7-8H2,(H2,15,18)(H,16,19)/t9-/m0/s1.
What are the key properties of (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 7333045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).