1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide

C15H20N2O3 — CID 60655294

IUPAC1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccc2CO)CC1
InChIInChI=1S/C15H20N2O3/c1-11(19)17-8-6-12(7-9-17)15(20)16-14-5-3-2-4-13(14)10-18/h2-5,12,18H,6-10H2,1H3,(H,16,20)
InChIKeySQKNUFJHQORUSA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.38
Rot. Bonds3

About 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide (PubChem CID 60655294) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
PubChem CID60655294
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccc2CO)CC1
InChIInChI=1S/C15H20N2O3/c1-11(19)17-8-6-12(7-9-17)15(20)16-14-5-3-2-4-13(14)10-18/h2-5,12,18H,6-10H2,1H3,(H,16,20)
InChIKeySQKNUFJHQORUSA-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893200
1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide
CID 108792195
4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide (CID 60655294) is 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccccc2CO)CC1.
What is the InChIKey of 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is SQKNUFJHQORUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(19)17-8-6-12(7-9-17)15(20)16-14-5-3-2-4-13(14)10-18/h2-5,12,18H,6-10H2,1H3,(H,16,20).
What are the key properties of 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 60655294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).