2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid

C15H23N3O3 — CID 22615426

IUPAC2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
SMILESCOc1ccccc1N1CCC(NCCNC(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-21-14-5-3-2-4-13(14)18-10-6-12(7-11-18)16-8-9-17-15(19)20/h2-5,12,16-17H,6-11H2,1H3,(H,19,20)
InChIKeyIFMSFJXXNPFREF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.52
Rot. Bonds6

About 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid

2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid (PubChem CID 22615426) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
PubChem CID22615426
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
SMILESCOc1ccccc1N1CCC(NCCNC(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-21-14-5-3-2-4-13(14)18-10-6-12(7-11-18)16-8-9-17-15(19)20/h2-5,12,16-17H,6-11H2,1H3,(H,19,20)
InChIKeyIFMSFJXXNPFREF-UHFFFAOYSA-N
XLogP1.52
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119866151
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
CID 136517434
(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide
CID 124614264
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
N-[1-(2-methoxyphenyl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
CID 136523951

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid?
The IUPAC name of 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid (CID 22615426) is 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid is COc1ccccc1N1CCC(NCCNC(=O)O)CC1.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid?
The InChIKey is IFMSFJXXNPFREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-14-5-3-2-4-13(14)18-10-6-12(7-11-18)16-8-9-17-15(19)20/h2-5,12,16-17H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid?
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid has a molecular weight of 293.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid is sourced from PubChem (CID 22615426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).