(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide

C22H26FN3O2 — CID 125172984

IUPAC(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CCCNC(=O)c2cccc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C22H26FN3O2/c23-20-9-7-16(8-10-20)17-4-1-5-18(14-17)22(28)25-11-3-13-26-12-2-6-19(15-26)21(24)27/h1,4-5,7-10,14,19H,2-3,6,11-13,15H2,(H2,24,27)(H,25,28)/t19-/m1/s1
InChIKeyYXHCVZBVZKBVAX-LJQANCHMSA-N
MW383.47 g/mol
LogP2.81
Rot. Bonds7

About (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide

(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide (PubChem CID 125172984) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
PubChem CID125172984
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CCCNC(=O)c2cccc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C22H26FN3O2/c23-20-9-7-16(8-10-20)17-4-1-5-18(14-17)22(28)25-11-3-13-26-12-2-6-19(15-26)21(24)27/h1,4-5,7-10,14,19H,2-3,6,11-13,15H2,(H2,24,27)(H,25,28)/t19-/m1/s1
InChIKeyYXHCVZBVZKBVAX-LJQANCHMSA-N
XLogP2.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 91841476
4-(3-fluorophenyl)-N-[3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 124754991
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 121496561
1-[3-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111394996
N-[3-(3-carbamoylpiperidin-1-yl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 56547756
1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
CID 51134727
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
1-[[3-[[[2-fluoro-4-(4-fluorophenyl)benzoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154836332
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 118767012
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide (CID 125172984) is (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CCCNC(=O)c2cccc(-c3ccc(F)cc3)c2)C1.
What is the InChIKey of (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide?
The InChIKey is YXHCVZBVZKBVAX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-20-9-7-16(8-10-20)17-4-1-5-18(14-17)22(28)25-11-3-13-26-12-2-6-19(15-26)21(24)27/h1,4-5,7-10,14,19H,2-3,6,11-13,15H2,(H2,24,27)(H,25,28)/t19-/m1/s1.
What are the key properties of (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide?
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 125172984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).