2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid

C14H27N3O4 — CID 63875769

IUPAC2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN(C)C(C)(C)CNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H27N3O4/c1-14(2,16(3)4)10-15-13(20)17-7-5-11(6-8-17)21-9-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyZZRMPQSGXQJGDR-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.60
Rot. Bonds6

About 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63875769) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63875769
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN(C)C(C)(C)CNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H27N3O4/c1-14(2,16(3)4)10-15-13(20)17-7-5-11(6-8-17)21-9-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyZZRMPQSGXQJGDR-UHFFFAOYSA-N
XLogP0.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031585
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877488
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876453
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 81126024
2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 106239137
2-[4-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823976
2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid (CID 63875769) is 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid is CN(C)C(C)(C)CNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is ZZRMPQSGXQJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-14(2,16(3)4)10-15-13(20)17-7-5-11(6-8-17)21-9-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63875769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).