N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide

C13H18N2O2 — CID 168651911

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
SMILESCOC1CCN(c2ccc(NC=O)cc2)CC1
InChIInChI=1S/C13H18N2O2/c1-17-13-6-8-15(9-7-13)12-4-2-11(3-5-12)14-10-16/h2-5,10,13H,6-9H2,1H3,(H,14,16)
InChIKeyBDHACLPWCGXDNW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds4

About N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide (PubChem CID 168651911) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
PubChem CID168651911
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
SMILESCOC1CCN(c2ccc(NC=O)cc2)CC1
InChIInChI=1S/C13H18N2O2/c1-17-13-6-8-15(9-7-13)12-4-2-11(3-5-12)14-10-16/h2-5,10,13H,6-9H2,1H3,(H,14,16)
InChIKeyBDHACLPWCGXDNW-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide (CID 168651911) is N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide is COC1CCN(c2ccc(NC=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide?
The InChIKey is BDHACLPWCGXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-13-6-8-15(9-7-13)12-4-2-11(3-5-12)14-10-16/h2-5,10,13H,6-9H2,1H3,(H,14,16).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide has a molecular weight of 234.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide is sourced from PubChem (CID 168651911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).