methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate

C24H31N3O4 — CID 146308663

IUPACmethyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate
SMILESCOC(=O)NCCC(Oc1ccccc1NC(=O)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O4/c1-27-16-13-19(14-17-27)23(28)26-20-10-6-7-11-22(20)31-21(12-15-25-24(29)30-2)18-8-4-3-5-9-18/h3-11,19,21H,12-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyOMVLHDTZDFSSEE-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.83
Rot. Bonds8

About methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate

methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate (PubChem CID 146308663) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate
PubChem CID146308663
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Namemethyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate
SMILESCOC(=O)NCCC(Oc1ccccc1NC(=O)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O4/c1-27-16-13-19(14-17-27)23(28)26-20-10-6-7-11-22(20)31-21(12-15-25-24(29)30-2)18-8-4-3-5-9-18/h3-11,19,21H,12-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyOMVLHDTZDFSSEE-UHFFFAOYSA-N
XLogP3.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide
CID 146308638
1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149770
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea
CID 138738122
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51320655
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
1-[1-(benzylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444393
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732598

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate?
The IUPAC name of methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate (CID 146308663) is methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate?
The canonical SMILES for methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate is COC(=O)NCCC(Oc1ccccc1NC(=O)C1CCN(C)CC1)c1ccccc1.
What is the InChIKey of methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate?
The InChIKey is OMVLHDTZDFSSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-27-16-13-19(14-17-27)23(28)26-20-10-6-7-11-22(20)31-21(12-15-25-24(29)30-2)18-8-4-3-5-9-18/h3-11,19,21H,12-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate?
methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate has a molecular weight of 425.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate is sourced from PubChem (CID 146308663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).