4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid

C12H22N2O4 — CID 43373246

IUPAC4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
SMILESCOC1CCN(C(=O)N(C)CCCC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-13(7-3-4-11(15)16)12(17)14-8-5-10(18-2)6-9-14/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyQKFPUQIAHAHMQH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds5

About 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid

4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid (PubChem CID 43373246) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
PubChem CID43373246
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
SMILESCOC1CCN(C(=O)N(C)CCCC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-13(7-3-4-11(15)16)12(17)14-8-5-10(18-2)6-9-14/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyQKFPUQIAHAHMQH-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 79163753
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875250
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]-methylamino]propanoic acid
CID 106836785
4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43329817
3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63876978
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877473
2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62820761
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
4-[(2-ethyl-1,4-oxazepane-4-carbonyl)-methylamino]butanoic acid
CID 114218598

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid (CID 43373246) is 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid is COC1CCN(C(=O)N(C)CCCC(=O)O)CC1.
What is the InChIKey of 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid?
The InChIKey is QKFPUQIAHAHMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-13(7-3-4-11(15)16)12(17)14-8-5-10(18-2)6-9-14/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid?
4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 43373246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).