N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C22H26FN3O2 — CID 42962168

IUPACN-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCN(Cc2cccc(F)c2)C1)c1ccccc1
InChIInChI=1S/C22H26FN3O2/c23-20-10-4-6-17(14-20)15-26-13-5-9-19(16-26)22(28)25-12-11-24-21(27)18-7-2-1-3-8-18/h1-4,6-8,10,14,19H,5,9,11-13,15-16H2,(H,24,27)(H,25,28)
InChIKeyORMCPZBKKSAABL-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.58
Rot. Bonds7

About N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 42962168) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID42962168
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCN(Cc2cccc(F)c2)C1)c1ccccc1
InChIInChI=1S/C22H26FN3O2/c23-20-10-4-6-17(14-20)15-26-13-5-9-19(16-26)22(28)25-12-11-24-21(27)18-7-2-1-3-8-18/h1-4,6-8,10,14,19H,5,9,11-13,15-16H2,(H,24,27)(H,25,28)
InChIKeyORMCPZBKKSAABL-UHFFFAOYSA-N
XLogP2.58
TPSA61.44 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 ≤ 52.58
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

(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
1-[(3-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119448544
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56523512
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 42962168) is N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCCNC(=O)C1CCCN(Cc2cccc(F)c2)C1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ORMCPZBKKSAABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-20-10-4-6-17(14-20)15-26-13-5-9-19(16-26)22(28)25-12-11-24-21(27)18-7-2-1-3-8-18/h1-4,6-8,10,14,19H,5,9,11-13,15-16H2,(H,24,27)(H,25,28).
What are the key properties of N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42962168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).