methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate

C13H23NO3 — CID 78919532

IUPACmethyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)CCC(C)C)C1
InChIInChI=1S/C13H23NO3/c1-10(2)6-7-12(15)14-8-4-5-11(9-14)13(16)17-3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyXMICNNQHNBASLE-NSHDSACASA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds4

About methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate

methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate (PubChem CID 78919532) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
PubChem CID78919532
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)CCC(C)C)C1
InChIInChI=1S/C13H23NO3/c1-10(2)6-7-12(15)14-8-4-5-11(9-14)13(16)17-3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyXMICNNQHNBASLE-NSHDSACASA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
methyl 1-(2-cyanoacetyl)piperidine-3-carboxylate
CID 110459560
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
CID 78919240
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate (CID 78919532) is methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)CCC(C)C)C1.
What is the InChIKey of methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate?
The InChIKey is XMICNNQHNBASLE-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)6-7-12(15)14-8-4-5-11(9-14)13(16)17-3/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate?
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).