(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C17H24FN3O2 — CID 94816306

IUPAC(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-20(2)16(22)10-19-17(23)14-6-4-8-21(12-14)11-13-5-3-7-15(18)9-13/h3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyYNIAPTDZLIITAN-AWEZNQCLSA-N
MW321.40 g/mol
LogP1.24
Rot. Bonds5

About (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 94816306) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID94816306
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-20(2)16(22)10-19-17(23)14-6-4-8-21(12-14)11-13-5-3-7-15(18)9-13/h3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyYNIAPTDZLIITAN-AWEZNQCLSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42962168
1-[(3-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119448544
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56523512
N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119567883
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 94816306) is (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is CN(C)C(=O)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YNIAPTDZLIITAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-20(2)16(22)10-19-17(23)14-6-4-8-21(12-14)11-13-5-3-7-15(18)9-13/h3,5,7,9,14H,4,6,8,10-12H2,1-2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94816306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).