acetyl 1-(methylamino)piperidine-4-carboxylate

C9H16N2O3 — CID 174692638

IUPACacetyl 1-(methylamino)piperidine-4-carboxylate
SMILESCNN1CCC(C(=O)OC(C)=O)CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)14-9(13)8-3-5-11(10-2)6-4-8/h8,10H,3-6H2,1-2H3
InChIKeyWYXVMKMWBGFKGZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.08
Rot. Bonds2

About acetyl 1-(methylamino)piperidine-4-carboxylate

acetyl 1-(methylamino)piperidine-4-carboxylate (PubChem CID 174692638) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is acetyl 1-(methylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameacetyl 1-(methylamino)piperidine-4-carboxylate
PubChem CID174692638
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameacetyl 1-(methylamino)piperidine-4-carboxylate
SMILESCNN1CCC(C(=O)OC(C)=O)CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)14-9(13)8-3-5-11(10-2)6-4-8/h8,10H,3-6H2,1-2H3
InChIKeyWYXVMKMWBGFKGZ-UHFFFAOYSA-N
XLogP-0.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(methylamino)piperidine-4-carboxylic acid;hydrochloride
CID 141414728
ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone
CID 168882321
methylamino cyclopropanecarboxylate
CID 19995333
methyl acetate;methyl 2-(methylamino)acetate;methyl 1-methylpiperidine-4-carboxylate
CID 157053310
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
sodium;hydride;methoxycarbonyl cyclopropanecarboxylate
CID 174775047
1-(methylamino)azepan-4-ol
CID 167227083
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid
CID 175312259
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
methyl 4-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 178148069
amino 1-methylpiperidine-4-carboxylate
CID 18698219

Frequently Asked Questions

What is the IUPAC name of acetyl 1-(methylamino)piperidine-4-carboxylate?
The IUPAC name of acetyl 1-(methylamino)piperidine-4-carboxylate (CID 174692638) is acetyl 1-(methylamino)piperidine-4-carboxylate.
What is the SMILES notation for acetyl 1-(methylamino)piperidine-4-carboxylate?
The canonical SMILES for acetyl 1-(methylamino)piperidine-4-carboxylate is CNN1CCC(C(=O)OC(C)=O)CC1.
What is the InChIKey of acetyl 1-(methylamino)piperidine-4-carboxylate?
The InChIKey is WYXVMKMWBGFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)14-9(13)8-3-5-11(10-2)6-4-8/h8,10H,3-6H2,1-2H3.
What are the key properties of acetyl 1-(methylamino)piperidine-4-carboxylate?
acetyl 1-(methylamino)piperidine-4-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 1-(methylamino)piperidine-4-carboxylate is sourced from PubChem (CID 174692638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).