(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide

C16H23FN2O2 — CID 72873328

IUPAC(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCc2ccc(F)cc2)CC[C@]1(C)O
InChIInChI=1S/C16H23FN2O2/c1-15(2)11-19(9-8-16(15,3)21)14(20)18-10-12-4-6-13(17)7-5-12/h4-7,21H,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyJJOWVVQZUJJZMY-INIZCTEOSA-N
MW294.37 g/mol
LogP2.52
Rot. Bonds2

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

(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide (PubChem CID 72873328) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
PubChem CID72873328
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCc2ccc(F)cc2)CC[C@]1(C)O
InChIInChI=1S/C16H23FN2O2/c1-15(2)11-19(9-8-16(15,3)21)14(20)18-10-12-4-6-13(17)7-5-12/h4-7,21H,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyJJOWVVQZUJJZMY-INIZCTEOSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 133125563
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
4-[[[3-methoxycarbonyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020420
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
(3S)-3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97133998
(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 133110763
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide?
The IUPAC name of (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide (CID 72873328) is (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide.
What is the SMILES notation for (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide?
The canonical SMILES for (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide is CC1(C)CN(C(=O)NCc2ccc(F)cc2)CC[C@]1(C)O.
What is the InChIKey of (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide?
The InChIKey is JJOWVVQZUJJZMY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-15(2)11-19(9-8-16(15,3)21)14(20)18-10-12-4-6-13(17)7-5-12/h4-7,21H,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide?
(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide is sourced from PubChem (CID 72873328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).