1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 115436411

IUPAC1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(COC1CCNCC1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c18-13(10-21-12-4-8-16-9-5-12)17-11-15(14(19)20)6-2-1-3-7-15/h12,16H,1-11H2,(H,17,18)(H,19,20)
InChIKeyNOYIZBBLFFXQEP-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.91
Rot. Bonds6

About 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436411) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436411
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(COC1CCNCC1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c18-13(10-21-12-4-8-16-9-5-12)17-11-15(14(19)20)6-2-1-3-7-15/h12,16H,1-11H2,(H,17,18)(H,19,20)
InChIKeyNOYIZBBLFFXQEP-UHFFFAOYSA-N
XLogP0.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-2-piperidin-4-yloxyacetamide
CID 83111009
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433603
N-hydroxy-2-piperidin-4-yloxyacetamide
CID 63990799
N-(2-aminoethyl)-2-piperidin-4-yloxyacetamide
CID 63876226
1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433571
1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 103162109
N-cyclopropyl-2-[(2-piperidin-4-yloxyacetyl)amino]acetamide
CID 63875672
1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450787
1-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81361985
3-piperidin-4-yloxy-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103920742
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115436411) is 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(COC1CCNCC1)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NOYIZBBLFFXQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-13(10-21-12-4-8-16-9-5-12)17-11-15(14(19)20)6-2-1-3-7-15/h12,16H,1-11H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).