1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

C16H22N2O3 — CID 62034824

IUPAC1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc(C=O)ccc2OC)CC1
InChIInChI=1S/C16H22N2O3/c1-17-16(20)13-5-7-18(8-6-13)10-14-9-12(11-19)3-4-15(14)21-2/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyDNOCAQMNIWTNTP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.47
Rot. Bonds5

About 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 62034824) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID62034824
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc(C=O)ccc2OC)CC1
InChIInChI=1S/C16H22N2O3/c1-17-16(20)13-5-7-18(8-6-13)10-14-9-12(11-19)3-4-15(14)21-2/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyDNOCAQMNIWTNTP-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 82015484
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 62017023
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741
1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420365
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enoic acid
CID 4195981
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 82956689
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62330700

Frequently Asked Questions

What is the IUPAC name of 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 62034824) is 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cc(C=O)ccc2OC)CC1.
What is the InChIKey of 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is DNOCAQMNIWTNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17-16(20)13-5-7-18(8-6-13)10-14-9-12(11-19)3-4-15(14)21-2/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 62034824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).