4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide

C20H24N2O3 — CID 48832439

IUPAC4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)N3CCC(CO)CC3)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-2-6-18(7-3-15)25-19-8-4-17(5-9-19)21-20(24)22-12-10-16(14-23)11-13-22/h2-9,16,23H,10-14H2,1H3,(H,21,24)
InChIKeyVWZIYGZAWTYHBL-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.02
Rot. Bonds4

About 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide (PubChem CID 48832439) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
PubChem CID48832439
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)N3CCC(CO)CC3)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-2-6-18(7-3-15)25-19-8-4-17(5-9-19)21-20(24)22-12-10-16(14-23)11-13-22/h2-9,16,23H,10-14H2,1H3,(H,21,24)
InChIKeyVWZIYGZAWTYHBL-UHFFFAOYSA-N
XLogP4.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 72841938
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 60958056
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide (CID 48832439) is 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide is Cc1ccc(Oc2ccc(NC(=O)N3CCC(CO)CC3)cc2)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is VWZIYGZAWTYHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-2-6-18(7-3-15)25-19-8-4-17(5-9-19)21-20(24)22-12-10-16(14-23)11-13-22/h2-9,16,23H,10-14H2,1H3,(H,21,24).
What are the key properties of 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 48832439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).