N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide

C23H30N2O2 — CID 132654892

IUPACN-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NC(C)COc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-17-8-10-21(11-9-17)25-14-12-20(13-15-25)23(26)24-19(3)16-27-22-7-5-4-6-18(22)2/h4-11,19-20H,12-16H2,1-3H3,(H,24,26)
InChIKeyZXPBFYIBEKMBQW-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.10
Rot. Bonds6

About N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide

N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 132654892) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID132654892
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NC(C)COc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-17-8-10-21(11-9-17)25-14-12-20(13-15-25)23(26)24-19(3)16-27-22-7-5-4-6-18(22)2/h4-11,19-20H,12-16H2,1-3H3,(H,24,26)
InChIKeyZXPBFYIBEKMBQW-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013477
1-[(2-fluorophenyl)methyl]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013499
1-(4-fluorophenyl)sulfonyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 100652699
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013550
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 95194832
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 95300663
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]cyclopentanecarboxamide
CID 95706429
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675979
(3R)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95161873
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide (CID 132654892) is N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)NC(C)COc3ccccc3C)CC2)cc1.
What is the InChIKey of N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is ZXPBFYIBEKMBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-8-10-21(11-9-17)25-14-12-20(13-15-25)23(26)24-19(3)16-27-22-7-5-4-6-18(22)2/h4-11,19-20H,12-16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide?
N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 132654892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).