1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

C17H24FN3O3 — CID 47707011

IUPAC1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCCO)CC1)NCc1ccccc1F
InChIInChI=1S/C17H24FN3O3/c18-15-4-2-1-3-14(15)11-20-16(23)12-21-8-5-13(6-9-21)17(24)19-7-10-22/h1-4,13,22H,5-12H2,(H,19,24)(H,20,23)
InChIKeyDPNSPDVIPQUASA-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.26
Rot. Bonds7

About 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 47707011) has the molecular formula C17H24FN3O3 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID47707011
Molecular FormulaC17H24FN3O3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCCO)CC1)NCc1ccccc1F
InChIInChI=1S/C17H24FN3O3/c18-15-4-2-1-3-14(15)11-20-16(23)12-21-8-5-13(6-9-21)17(24)19-7-10-22/h1-4,13,22H,5-12H2,(H,19,24)(H,20,23)
InChIKeyDPNSPDVIPQUASA-UHFFFAOYSA-N
XLogP0.26
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
1-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738942
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-[(2-fluorophenyl)methyl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045272
2-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 75591031

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 47707011) is 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NCCO)CC1)NCc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is DPNSPDVIPQUASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c18-15-4-2-1-3-14(15)11-20-16(23)12-21-8-5-13(6-9-21)17(24)19-7-10-22/h1-4,13,22H,5-12H2,(H,19,24)(H,20,23).
What are the key properties of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47707011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).