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

C19H28N2O5 — CID 119787961

IUPACmethyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate
SMILESCOC(=O)CCCOc1ccc(CNC(=O)C2(OC)CCNCC2)cc1
InChIInChI=1S/C19H28N2O5/c1-24-17(22)4-3-13-26-16-7-5-15(6-8-16)14-21-18(23)19(25-2)9-11-20-12-10-19/h5-8,20H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyPFLYVYAJLSSZDK-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.40
Rot. Bonds9

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

methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate (PubChem CID 119787961) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate
PubChem CID119787961
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namemethyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate
SMILESCOC(=O)CCCOc1ccc(CNC(=O)C2(OC)CCNCC2)cc1
InChIInChI=1S/C19H28N2O5/c1-24-17(22)4-3-13-26-16-7-5-15(6-8-16)14-21-18(23)19(25-2)9-11-20-12-10-19/h5-8,20H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyPFLYVYAJLSSZDK-UHFFFAOYSA-N
XLogP1.40
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
CID 119784210
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate?
The IUPAC name of methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate (CID 119787961) is methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate.
What is the SMILES notation for methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate?
The canonical SMILES for methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate is COC(=O)CCCOc1ccc(CNC(=O)C2(OC)CCNCC2)cc1.
What is the InChIKey of methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate?
The InChIKey is PFLYVYAJLSSZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-24-17(22)4-3-13-26-16-7-5-15(6-8-16)14-21-18(23)19(25-2)9-11-20-12-10-19/h5-8,20H,3-4,9-14H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate?
methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate has a molecular weight of 364.44 g/mol, XLogP of 1.40, 9 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]methyl]phenoxy]butanoate is sourced from PubChem (CID 119787961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).