(4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate

C19H28N2O3 — CID 146666947

IUPAC(4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-15-7-11-20(12-8-15)16-9-13-21(14-10-16)19(22)24-18-5-3-17(23-2)4-6-18/h3-6,15-16H,7-14H2,1-2H3
InChIKeyNULZEVRJHBMXIM-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.39
Rot. Bonds3

About (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate

(4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 146666947) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate
PubChem CID146666947
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-15-7-11-20(12-8-15)16-9-13-21(14-10-16)19(22)24-18-5-3-17(23-2)4-6-18/h3-6,15-16H,7-14H2,1-2H3
InChIKeyNULZEVRJHBMXIM-UHFFFAOYSA-N
XLogP3.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 45272638
Phenyl 4-methylpiperidine-1-carboxylate
CID 755382
Way-121898
CID 9796754
Phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3232807
phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233243
Phenyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3233633
phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3234550
Phenyl 2-(propan-2-ylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3235409
US9994525, Example 6
CID 86298782
US9994525, Example 1
CID 86299781
Phenyl 2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3232648
Phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3233826

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate (CID 146666947) is (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate is COc1ccc(OC(=O)N2CCC(N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is NULZEVRJHBMXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-7-11-20(12-8-15)16-9-13-21(14-10-16)19(22)24-18-5-3-17(23-2)4-6-18/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate?
(4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-(4-methylpiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 146666947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).