N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide

C14H20N2O2 — CID 104954561

IUPACN-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2)CCC1O
InChIInChI=1S/C14H20N2O2/c1-11-10-16(8-7-13(11)17)14(18)15-9-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,15,18)
InChIKeyLBYSBUMMJMRUQE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds2

About N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide

N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide (PubChem CID 104954561) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
PubChem CID104954561
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2)CCC1O
InChIInChI=1S/C14H20N2O2/c1-11-10-16(8-7-13(11)17)14(18)15-9-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,15,18)
InChIKeyLBYSBUMMJMRUQE-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 107652895
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide
CID 74251214
4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid
CID 141407714

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide (CID 104954561) is N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide is CC1CN(C(=O)NCc2ccccc2)CCC1O.
What is the InChIKey of N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide?
The InChIKey is LBYSBUMMJMRUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-10-16(8-7-13(11)17)14(18)15-9-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,15,18).
What are the key properties of N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide?
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 104954561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).