(4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide

C17H25FN2O3 — CID 72905924

IUPAC(4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
SMILESCOC[C@]1(O)CCN(C(=O)NCc2ccccc2F)CC1(C)C
InChIInChI=1S/C17H25FN2O3/c1-16(2)11-20(9-8-17(16,22)12-23-3)15(21)19-10-13-6-4-5-7-14(13)18/h4-7,22H,8-12H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeySCTVGZVBVYZAKR-QGZVFWFLSA-N
MW324.40 g/mol
LogP2.14
Rot. Bonds4

About (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide

(4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide (PubChem CID 72905924) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
PubChem CID72905924
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name(4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
SMILESCOC[C@]1(O)CCN(C(=O)NCc2ccccc2F)CC1(C)C
InChIInChI=1S/C17H25FN2O3/c1-16(2)11-20(9-8-17(16,22)12-23-3)15(21)19-10-13-6-4-5-7-14(13)18/h4-7,22H,8-12H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeySCTVGZVBVYZAKR-QGZVFWFLSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(3-fluorobenzyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 16190463
N-(4-fluorobenzyl)-4-((2-methoxyethoxy)methyl)piperidine-1-carboxamide
CID 49677822
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(4-methyloxan-4-YL)methyl]urea
CID 71686940
1-[(3-Fluorophenyl)methyl]-3-(2-methoxyethyl)-3-[(4-methyloxan-4-YL)methyl]urea
CID 71686961
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71976445
(3R*,4R*)-N-(2-fluorobenzyl)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinecarboxamide
CID 72846157
(3R*,4R*)-N-(4-fluorobenzyl)-3-(hydroxymethyl)-4-(4-morpholinylmethyl)-1-pyrrolidinecarboxamide
CID 72869799
(3R*,4R*)-N-(2-fluorobenzyl)-3-(hydroxymethyl)-4-(1-piperidinylmethyl)-1-pyrrolidinecarboxamide
CID 72895815
4-(2-Ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91907793
N-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91910495
N-(4-fluorobenzyl)-4-(2-methoxyethoxy)tetrahydro-1(2H)-pyridinecarboxamide
CID 91918293
2-Acetyl-N~8~-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922157

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide (CID 72905924) is (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide is COC[C@]1(O)CCN(C(=O)NCc2ccccc2F)CC1(C)C.
What is the InChIKey of (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide?
The InChIKey is SCTVGZVBVYZAKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-16(2)11-20(9-8-17(16,22)12-23-3)15(21)19-10-13-6-4-5-7-14(13)18/h4-7,22H,8-12H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide?
(4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 72905924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).