tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate

C15H27NO4 — CID 59261070

IUPACtert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)C(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-11(13(17)19-5)10-12-6-8-16(9-7-12)14(18)20-15(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeyKOPSGTBNDPNMBV-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 59261070) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate
PubChem CID59261070
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)C(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-11(13(17)19-5)10-12-6-8-16(9-7-12)14(18)20-15(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeyKOPSGTBNDPNMBV-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 6618868
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
7-[(Tert-butoxy)carbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 53488162
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)acetic acid
CID 4115028
(S)-2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid
CID 1502084
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 1502085
3-((3S)-1-((tert-butoxy)carbonyl)piperidin-3-yl)propanoic acid
CID 1502091
3-[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]propanoic acid
CID 1502092
1-Boc-piperidin-3-yl-propionic acid
CID 2756824
Ethyl 1-((1,1-dimethylethoxy)carbonyl)-4-piperidineacetate
CID 9993342
4-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acid
CID 10400987

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate (CID 59261070) is tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate is COC(=O)C(C)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is KOPSGTBNDPNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(13(17)19-5)10-12-6-8-16(9-7-12)14(18)20-15(2,3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 59261070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).