2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid

C13H23N3O4 — CID 106917160

IUPAC2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
SMILESCNC(=O)CCN(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-14-11(17)5-6-15(2)13(20)16-7-3-10(4-8-16)9-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyQRYZZEHGIUNQQS-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.36
Rot. Bonds5

About 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid

2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 106917160) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
PubChem CID106917160
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
SMILESCNC(=O)CCN(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-14-11(17)5-6-15(2)13(20)16-7-3-10(4-8-16)9-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyQRYZZEHGIUNQQS-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid
CID 106917190
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
CID 79605780
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[4-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 106917007
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]-methylamino]propanoic acid
CID 106836785
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
CID 103112547
2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106917169
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid (CID 106917160) is 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid is CNC(=O)CCN(C)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is QRYZZEHGIUNQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-14-11(17)5-6-15(2)13(20)16-7-3-10(4-8-16)9-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 106917160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).