1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide

C16H22N2O3 — CID 43226156

IUPAC1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)=O)cc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C16H22N2O3/c1-11(19)12-5-6-15(21-2)14(8-12)10-18-7-3-4-13(9-18)16(17)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,17,20)
InChIKeyDPFXRKCKDKTMRC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.60
Rot. Bonds5

About 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide

1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43226156) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID43226156
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)=O)cc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C16H22N2O3/c1-11(19)12-5-6-15(21-2)14(8-12)10-18-7-3-4-13(9-18)16(17)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,17,20)
InChIKeyDPFXRKCKDKTMRC-UHFFFAOYSA-N
XLogP1.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
1-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 63899709
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647

Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 43226156) is 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(C(C)=O)cc1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DPFXRKCKDKTMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(19)12-5-6-15(21-2)14(8-12)10-18-7-3-4-13(9-18)16(17)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,17,20).
What are the key properties of 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43226156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).