N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide

C18H26N2O2 — CID 110862273

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3CCCOC3)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-14-8-10-20(11-9-14)17-6-4-16(5-7-17)19-18(21)15-3-2-12-22-13-15/h4-7,14-15H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyKPHWNPPFVJMIDW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.29
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide (PubChem CID 110862273) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
PubChem CID110862273
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3CCCOC3)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-14-8-10-20(11-9-14)17-6-4-16(5-7-17)19-18(21)15-3-2-12-22-13-15/h4-7,14-15H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyKPHWNPPFVJMIDW-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide
CID 110696844
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682183
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 129377300

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide (CID 110862273) is N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide is CC1CCN(c2ccc(NC(=O)C3CCCOC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide?
The InChIKey is KPHWNPPFVJMIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-8-10-20(11-9-14)17-6-4-16(5-7-17)19-18(21)15-3-2-12-22-13-15/h4-7,14-15H,2-3,8-13H2,1H3,(H,19,21).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide is sourced from PubChem (CID 110862273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).