1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid

C13H21N3O4 — CID 102736737

IUPAC1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid
SMILESCC(=O)NCC1CCN(C(=O)N2CC(C(=O)O)C2)CC1
InChIInChI=1S/C13H21N3O4/c1-9(17)14-6-10-2-4-15(5-3-10)13(20)16-7-11(8-16)12(18)19/h10-11H,2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyFIULDMLMAMGTES-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.03
Rot. Bonds3

About 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid

1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid (PubChem CID 102736737) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid
PubChem CID102736737
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid
SMILESCC(=O)NCC1CCN(C(=O)N2CC(C(=O)O)C2)CC1
InChIInChI=1S/C13H21N3O4/c1-9(17)14-6-10-2-4-15(5-3-10)13(20)16-7-11(8-16)12(18)19/h10-11H,2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyFIULDMLMAMGTES-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 102736752
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 114093135
1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032278
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654

Frequently Asked Questions

What is the IUPAC name of 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid (CID 102736737) is 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid is CC(=O)NCC1CCN(C(=O)N2CC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid?
The InChIKey is FIULDMLMAMGTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9(17)14-6-10-2-4-15(5-3-10)13(20)16-7-11(8-16)12(18)19/h10-11H,2-8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid?
1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 102736737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).