2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid

C13H23N3O5 — CID 63875757

IUPAC2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN(C)C(=O)CN(C)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H23N3O5/c1-14(2)11(17)8-15(3)13(20)16-6-4-10(5-7-16)21-9-12(18)19/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyTUCZSWLXJCNMQX-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.31
Rot. Bonds5

About 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63875757) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63875757
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN(C)C(=O)CN(C)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H23N3O5/c1-14(2)11(17)8-15(3)13(20)16-6-4-10(5-7-16)21-9-12(18)19/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyTUCZSWLXJCNMQX-UHFFFAOYSA-N
XLogP-0.31
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877473
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876981
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875250
2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 64517526
2-[1-[2-methoxyethyl(propan-2-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 82939729
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876453
2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid
CID 166263459
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61216523
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid (CID 63875757) is 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid is CN(C)C(=O)CN(C)C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is TUCZSWLXJCNMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-14(2)11(17)8-15(3)13(20)16-6-4-10(5-7-16)21-9-12(18)19/h10H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63875757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).