3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide

C14H20N2O2 — CID 115269224

IUPAC3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide
SMILESCC1(C)C(O)CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-14(2)12(17)9-6-10-16(14)13(18)15-11-7-4-3-5-8-11/h3-5,7-8,12,17H,6,9-10H2,1-2H3,(H,15,18)
InChIKeyVQCDKCBKOGXXBM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.45
Rot. Bonds1

About 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide

3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide (PubChem CID 115269224) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide
PubChem CID115269224
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide
SMILESCC1(C)C(O)CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-14(2)12(17)9-6-10-16(14)13(18)15-11-7-4-3-5-8-11/h3-5,7-8,12,17H,6,9-10H2,1-2H3,(H,15,18)
InChIKeyVQCDKCBKOGXXBM-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
CID 2831867
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
CID 53017589
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 3050914
3-ethyl-4-hydroxy-N-phenylpiperidine-1-carboxamide
CID 114510061
N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide
CID 4164736
(1S,5S,9S)-2-N,6-N,10-N-triphenyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide
CID 97299719
N-phenyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 110314561
3-(cyclohexylamino)-N-phenylpiperidine-1-carboxamide
CID 83999198

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide (CID 115269224) is 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide is CC1(C)C(O)CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide?
The InChIKey is VQCDKCBKOGXXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)12(17)9-6-10-16(14)13(18)15-11-7-4-3-5-8-11/h3-5,7-8,12,17H,6,9-10H2,1-2H3,(H,15,18).
What are the key properties of 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide?
3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 115269224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).