methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate

C13H24N2O3 — CID 60669971

IUPACmethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)14(3)12(16)9-15-7-5-11(6-8-15)13(17)18-4/h10-11H,5-9H2,1-4H3
InChIKeyUJXRXXCGVQVKGP-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.74
Rot. Bonds4

About methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 60669971) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID60669971
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)14(3)12(16)9-15-7-5-11(6-8-15)13(17)18-4/h10-11H,5-9H2,1-4H3
InChIKeyUJXRXXCGVQVKGP-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63848275
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63852740
2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 48966293
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
methyl 1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60642529
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate (CID 60669971) is methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)N(C)C(C)C)CC1.
What is the InChIKey of methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is UJXRXXCGVQVKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)14(3)12(16)9-15-7-5-11(6-8-15)13(17)18-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 60669971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).