(4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate

C15H19NO4 — CID 70372833

IUPAC(4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H19NO4/c1-11-7-9-16(10-8-11)15(18)20-13-5-3-12(4-6-13)14(17)19-2/h3-6,11H,7-10H2,1-2H3
InChIKeyIKKMNSVIZLKLLL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.70
Rot. Bonds2

About (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate

(4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate (PubChem CID 70372833) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate
PubChem CID70372833
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H19NO4/c1-11-7-9-16(10-8-11)15(18)20-13-5-3-12(4-6-13)14(17)19-2/h3-6,11H,7-10H2,1-2H3
InChIKeyIKKMNSVIZLKLLL-UHFFFAOYSA-N
XLogP2.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate
CID 79337661
(4-methoxycarbonylphenyl) 4-(4-pyridin-4-ylbutyl)piperidine-1-carboxylate
CID 59865008
(4-methoxycarbonylphenyl) 4-[1-(3-chloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]piperidine-1-carboxylate
CID 3756860
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11464779
methyl 4-[[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109364378
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
methyl 4-methoxycarbonyloxybenzoate
CID 584598
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
methyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 60624261
[4-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-methylpiperidine-1-carboxylate
CID 139930508

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate (CID 70372833) is (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate is COC(=O)c1ccc(OC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate?
The InChIKey is IKKMNSVIZLKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-7-9-16(10-8-11)15(18)20-13-5-3-12(4-6-13)14(17)19-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate?
(4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 70372833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).