methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate

C12H22N2O3 — CID 54871718

IUPACmethyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCNCC1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-11(15)17-3)12(16)10-4-6-13-7-5-10/h9-10,13H,4-8H2,1-3H3
InChIKeyMNKSUPVPGHLVIR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.40
Rot. Bonds4

About methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate

methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate (PubChem CID 54871718) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
PubChem CID54871718
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCNCC1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-11(15)17-3)12(16)10-4-6-13-7-5-10/h9-10,13H,4-8H2,1-3H3
InChIKeyMNKSUPVPGHLVIR-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
CID 62589837
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 79721373
methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78877755
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
CID 55048142
methyl 2-[(4-ethylpiperidine-4-carbonyl)-propan-2-ylamino]acetate
CID 63128303
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-4-carboxamide
CID 119325090
methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78878024
methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 54942390
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate (CID 54871718) is methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate is COC(=O)CN(C(=O)C1CCNCC1)C(C)C.
What is the InChIKey of methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate?
The InChIKey is MNKSUPVPGHLVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)14(8-11(15)17-3)12(16)10-4-6-13-7-5-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate?
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 54871718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).