N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

C22H24FN3O3 — CID 55760283

IUPACN-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H24FN3O3/c23-19-8-6-15(7-9-19)12-20(27)26-10-2-5-18(14-26)22(29)25-13-16-3-1-4-17(11-16)21(24)28/h1,3-4,6-9,11,18H,2,5,10,12-14H2,(H2,24,28)(H,25,29)
InChIKeyGSFXOWYUQPSLMC-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.02
Rot. Bonds6

About N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (PubChem CID 55760283) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
PubChem CID55760283
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H24FN3O3/c23-19-8-6-15(7-9-19)12-20(27)26-10-2-5-18(14-26)22(29)25-13-16-3-1-4-17(11-16)21(24)28/h1,3-4,6-9,11,18H,2,5,10,12-14H2,(H2,24,28)(H,25,29)
InChIKeyGSFXOWYUQPSLMC-UHFFFAOYSA-N
XLogP2.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95345541
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55782704
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
(3S)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 98786828

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (CID 55760283) is N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is NC(=O)c1cccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is GSFXOWYUQPSLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-19-8-6-15(7-9-19)12-20(27)26-10-2-5-18(14-26)22(29)25-13-16-3-1-4-17(11-16)21(24)28/h1,3-4,6-9,11,18H,2,5,10,12-14H2,(H2,24,28)(H,25,29).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55760283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).