N-(4-methyl-1-phenylpiperidin-4-yl)formamide

C13H18N2O — CID 174968105

IUPACN-(4-methyl-1-phenylpiperidin-4-yl)formamide
SMILESCC1(NC=O)CCN(c2ccccc2)CC1
InChIInChI=1S/C13H18N2O/c1-13(14-11-16)7-9-15(10-8-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,16)
InChIKeyZYRXCVPHOBTYNK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds3

About N-(4-methyl-1-phenylpiperidin-4-yl)formamide

N-(4-methyl-1-phenylpiperidin-4-yl)formamide (PubChem CID 174968105) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(4-methyl-1-phenylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-(4-methyl-1-phenylpiperidin-4-yl)formamide
PubChem CID174968105
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(4-methyl-1-phenylpiperidin-4-yl)formamide
SMILESCC1(NC=O)CCN(c2ccccc2)CC1
InChIInChI=1S/C13H18N2O/c1-13(14-11-16)7-9-15(10-8-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,16)
InChIKeyZYRXCVPHOBTYNK-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-phenylpiperidin-4-yl)formamide?
The IUPAC name of N-(4-methyl-1-phenylpiperidin-4-yl)formamide (CID 174968105) is N-(4-methyl-1-phenylpiperidin-4-yl)formamide.
What is the SMILES notation for N-(4-methyl-1-phenylpiperidin-4-yl)formamide?
The canonical SMILES for N-(4-methyl-1-phenylpiperidin-4-yl)formamide is CC1(NC=O)CCN(c2ccccc2)CC1.
What is the InChIKey of N-(4-methyl-1-phenylpiperidin-4-yl)formamide?
The InChIKey is ZYRXCVPHOBTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(14-11-16)7-9-15(10-8-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,16).
What are the key properties of N-(4-methyl-1-phenylpiperidin-4-yl)formamide?
N-(4-methyl-1-phenylpiperidin-4-yl)formamide has a molecular weight of 218.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-phenylpiperidin-4-yl)formamide is sourced from PubChem (CID 174968105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).