2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid

C14H25N3O4 — CID 63877492

IUPAC2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN1CCCC(NC(=O)N2CCC(OCC(=O)O)CC2)C1
InChIInChI=1S/C14H25N3O4/c1-16-6-2-3-11(9-16)15-14(20)17-7-4-12(5-8-17)21-10-13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyRFIPRCXSZPLSGR-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.36
Rot. Bonds4

About 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63877492) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63877492
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN1CCCC(NC(=O)N2CCC(OCC(=O)O)CC2)C1
InChIInChI=1S/C14H25N3O4/c1-16-6-2-3-11(9-16)15-14(20)17-7-4-12(5-8-17)21-10-13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyRFIPRCXSZPLSGR-UHFFFAOYSA-N
XLogP0.36
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875942
2-[1-[(2-methylcyclopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875597
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61370399
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877488
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid (CID 63877492) is 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid is CN1CCCC(NC(=O)N2CCC(OCC(=O)O)CC2)C1.
What is the InChIKey of 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is RFIPRCXSZPLSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-16-6-2-3-11(9-16)15-14(20)17-7-4-12(5-8-17)21-10-13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63877492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).