methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate

C14H24N2O3 — CID 60638892

IUPACmethyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-11(13(17)16-7-3-4-8-16)15-9-5-12(6-10-15)14(18)19-2/h11-12H,3-10H2,1-2H3
InChIKeySGTMGLIHYUVZJV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.88
Rot. Bonds3

About methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate

methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate (PubChem CID 60638892) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
PubChem CID60638892
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-11(13(17)16-7-3-4-8-16)15-9-5-12(6-10-15)14(18)19-2/h11-12H,3-10H2,1-2H3
InChIKeySGTMGLIHYUVZJV-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8754673
N,N-dimethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 78788245
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 94651845
tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
CID 95300418
methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741766

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate (CID 60638892) is methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(C(C)C(=O)N2CCCC2)CC1.
What is the InChIKey of methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate?
The InChIKey is SGTMGLIHYUVZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(13(17)16-7-3-4-8-16)15-9-5-12(6-10-15)14(18)19-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate?
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 60638892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).