methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate

C18H26N2O5 — CID 119784210

IUPACmethyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
SMILESCOC(=O)CCCOc1ccc(NC(=O)C2(OC)CCNCC2)cc1
InChIInChI=1S/C18H26N2O5/c1-23-16(21)4-3-13-25-15-7-5-14(6-8-15)20-17(22)18(24-2)9-11-19-12-10-18/h5-8,19H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyFKSRPMTVCMLHKE-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.73
Rot. Bonds8

About methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate

methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate (PubChem CID 119784210) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
PubChem CID119784210
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namemethyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
SMILESCOC(=O)CCCOc1ccc(NC(=O)C2(OC)CCNCC2)cc1
InChIInChI=1S/C18H26N2O5/c1-23-16(21)4-3-13-25-15-7-5-14(6-8-15)20-17(22)18(24-2)9-11-19-12-10-18/h5-8,19H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyFKSRPMTVCMLHKE-UHFFFAOYSA-N
XLogP1.73
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate
CID 119787961
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119841235
N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
methyl 4-[4-[(1-aminocyclopropanecarbonyl)amino]phenoxy]butanoate
CID 119784178
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119763434
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119752834

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate?
The IUPAC name of methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate (CID 119784210) is methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate.
What is the SMILES notation for methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate?
The canonical SMILES for methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate is COC(=O)CCCOc1ccc(NC(=O)C2(OC)CCNCC2)cc1.
What is the InChIKey of methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate?
The InChIKey is FKSRPMTVCMLHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-23-16(21)4-3-13-25-15-7-5-14(6-8-15)20-17(22)18(24-2)9-11-19-12-10-18/h5-8,19H,3-4,9-13H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate?
methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate has a molecular weight of 350.42 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate is sourced from PubChem (CID 119784210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).