2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid

C17H26N2O3 — CID 166791828

IUPAC2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c20-17(21)18-10-9-15-5-7-16(8-6-15)22-14-4-13-19-11-2-1-3-12-19/h5-8,18H,1-4,9-14H2,(H,20,21)
InChIKeyUMSHMSRNBPVBHK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.75
Rot. Bonds8

About 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid

2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid (PubChem CID 166791828) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
PubChem CID166791828
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c20-17(21)18-10-9-15-5-7-16(8-6-15)22-14-4-13-19-11-2-1-3-12-19/h5-8,18H,1-4,9-14H2,(H,20,21)
InChIKeyUMSHMSRNBPVBHK-UHFFFAOYSA-N
XLogP2.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid
CID 20986229
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
2-[4-[2-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 111324353

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid (CID 166791828) is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid is O=C(O)NCCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid?
The InChIKey is UMSHMSRNBPVBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-17(21)18-10-9-15-5-7-16(8-6-15)22-14-4-13-19-11-2-1-3-12-19/h5-8,18H,1-4,9-14H2,(H,20,21).
What are the key properties of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid?
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid has a molecular weight of 306.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid is sourced from PubChem (CID 166791828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).