1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

C22H26FN3O2 — CID 18125275

IUPAC1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccccc2)C1)NCCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c23-19-10-8-17(9-11-19)12-13-24-21(27)16-26-14-4-5-18(15-26)22(28)25-20-6-2-1-3-7-20/h1-3,6-11,18H,4-5,12-16H2,(H,24,27)(H,25,28)
InChIKeyDNSXCSIXQYBFHQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.84
Rot. Bonds7

About 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 18125275) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID18125275
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccccc2)C1)NCCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c23-19-10-8-17(9-11-19)12-13-24-21(27)16-26-14-4-5-18(15-26)22(28)25-20-6-2-1-3-7-20/h1-3,6-11,18H,4-5,12-16H2,(H,24,27)(H,25,28)
InChIKeyDNSXCSIXQYBFHQ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42926368
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 86913235
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512490
(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538408
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 87015216
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (CID 18125275) is 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is O=C(CN1CCCC(C(=O)Nc2ccccc2)C1)NCCc1ccc(F)cc1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is DNSXCSIXQYBFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-19-10-8-17(9-11-19)12-13-24-21(27)16-26-14-4-5-18(15-26)22(28)25-20-6-2-1-3-7-20/h1-3,6-11,18H,4-5,12-16H2,(H,24,27)(H,25,28).
What are the key properties of 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 18125275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).