methyl 1-propanoylpiperidine-4-carboxylate

C10H17NO3 — CID 4777957

IUPACmethyl 1-propanoylpiperidine-4-carboxylate
SMILESCCC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C10H17NO3/c1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyISBATQDSBAOKMA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds2

About methyl 1-propanoylpiperidine-4-carboxylate

methyl 1-propanoylpiperidine-4-carboxylate (PubChem CID 4777957) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 1-propanoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-propanoylpiperidine-4-carboxylate
PubChem CID4777957
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 1-propanoylpiperidine-4-carboxylate
SMILESCCC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C10H17NO3/c1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyISBATQDSBAOKMA-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
2-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 43091410
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
4-(4-methoxycarbonylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297455
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
methyl 1-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]piperidine-4-carboxylate
CID 103705549
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79874187

Frequently Asked Questions

What is the IUPAC name of methyl 1-propanoylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-propanoylpiperidine-4-carboxylate (CID 4777957) is methyl 1-propanoylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-propanoylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-propanoylpiperidine-4-carboxylate is CCC(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-propanoylpiperidine-4-carboxylate?
The InChIKey is ISBATQDSBAOKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-propanoylpiperidine-4-carboxylate?
methyl 1-propanoylpiperidine-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propanoylpiperidine-4-carboxylate is sourced from PubChem (CID 4777957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).