1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide

C17H24N2O3 — CID 32858300

IUPAC1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1CNC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C17H24N2O3/c1-12-4-5-16(22-3)15(10-12)11-18-17(21)14-6-8-19(9-7-14)13(2)20/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyNQWWPMOVKRXZSM-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.88
Rot. Bonds4

About 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 32858300) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID32858300
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1CNC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C17H24N2O3/c1-12-4-5-16(22-3)15(10-12)11-18-17(21)14-6-8-19(9-7-14)13(2)20/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyNQWWPMOVKRXZSM-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312
1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 22521712
4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148040
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20886703

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide (CID 32858300) is 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide is COc1ccc(C)cc1CNC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NQWWPMOVKRXZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-4-5-16(22-3)15(10-12)11-18-17(21)14-6-8-19(9-7-14)13(2)20/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,21).
What are the key properties of 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 32858300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).