benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate

C25H30N2O4 — CID 60587008

IUPACbenzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate
SMILESCC1CN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC(c2ccccc2)O1
InChIInChI=1S/C25H30N2O4/c1-19-16-27(17-23(31-19)21-10-6-3-7-11-21)24(28)22-12-14-26(15-13-22)25(29)30-18-20-8-4-2-5-9-20/h2-11,19,22-23H,12-18H2,1H3
InChIKeyRIPGTDJPUFDJTA-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.02
Rot. Bonds4

About benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate

benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate (PubChem CID 60587008) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate
PubChem CID60587008
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Namebenzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate
SMILESCC1CN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC(c2ccccc2)O1
InChIInChI=1S/C25H30N2O4/c1-19-16-27(17-23(31-19)21-10-6-3-7-11-21)24(28)22-12-14-26(15-13-22)25(29)30-18-20-8-4-2-5-9-20/h2-11,19,22-23H,12-18H2,1H3
InChIKeyRIPGTDJPUFDJTA-UHFFFAOYSA-N
XLogP4.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454
benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate
CID 169044811
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179
tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 54491210
benzyl (3S)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 68818466
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
cyclopentyl-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369056
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
benzyl (3S)-3-carbonochloridoylpyrrolidine-1-carboxylate
CID 125117165
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate (CID 60587008) is benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate is CC1CN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC(c2ccccc2)O1.
What is the InChIKey of benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate?
The InChIKey is RIPGTDJPUFDJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-19-16-27(17-23(31-19)21-10-6-3-7-11-21)24(28)22-12-14-26(15-13-22)25(29)30-18-20-8-4-2-5-9-20/h2-11,19,22-23H,12-18H2,1H3.
What are the key properties of benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate?
benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-methyl-6-phenylmorpholine-4-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 60587008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).