methyl 1-heptanoylpiperidine-4-carboxylate

C14H25NO3 — CID 43423316

IUPACmethyl 1-heptanoylpiperidine-4-carboxylate
SMILESCCCCCCC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-7-13(16)15-10-8-12(9-11-15)14(17)18-2/h12H,3-11H2,1-2H3
InChIKeyNCIMEVPXRVYVLX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds6

About methyl 1-heptanoylpiperidine-4-carboxylate

methyl 1-heptanoylpiperidine-4-carboxylate (PubChem CID 43423316) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 1-heptanoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-heptanoylpiperidine-4-carboxylate
PubChem CID43423316
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 1-heptanoylpiperidine-4-carboxylate
SMILESCCCCCCC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-7-13(16)15-10-8-12(9-11-15)14(17)18-2/h12H,3-11H2,1-2H3
InChIKeyNCIMEVPXRVYVLX-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
methyl 1-[2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetyl]piperidine-4-carboxylate
CID 28959379
butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259

Frequently Asked Questions

What is the IUPAC name of methyl 1-heptanoylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-heptanoylpiperidine-4-carboxylate (CID 43423316) is methyl 1-heptanoylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-heptanoylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-heptanoylpiperidine-4-carboxylate is CCCCCCC(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-heptanoylpiperidine-4-carboxylate?
The InChIKey is NCIMEVPXRVYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-5-6-7-13(16)15-10-8-12(9-11-15)14(17)18-2/h12H,3-11H2,1-2H3.
What are the key properties of methyl 1-heptanoylpiperidine-4-carboxylate?
methyl 1-heptanoylpiperidine-4-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-heptanoylpiperidine-4-carboxylate is sourced from PubChem (CID 43423316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).