methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate

C12H21N3O4 — CID 60728436

IUPACmethyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
SMILESCNC(=O)NC(=O)CCN1CCC(C(=O)OC)CC1
InChIInChI=1S/C12H21N3O4/c1-13-12(18)14-10(16)5-8-15-6-3-9(4-7-15)11(17)19-2/h9H,3-8H2,1-2H3,(H2,13,14,16,18)
InChIKeyLWAKQYRCVZOYCT-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.28
Rot. Bonds4

About methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate

methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate (PubChem CID 60728436) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
PubChem CID60728436
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Namemethyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
SMILESCNC(=O)NC(=O)CCN1CCC(C(=O)OC)CC1
InChIInChI=1S/C12H21N3O4/c1-13-12(18)14-10(16)5-8-15-6-3-9(4-7-15)11(17)19-2/h9H,3-8H2,1-2H3,(H2,13,14,16,18)
InChIKeyLWAKQYRCVZOYCT-UHFFFAOYSA-N
XLogP-0.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 55216877
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119905056
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
CID 43440872
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate
CID 112730817
methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78982381
methyl 1-(2-butoxyethyl)piperidine-4-carboxylate
CID 61067326
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
CID 166152765
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 51728561
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate (CID 60728436) is methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate is CNC(=O)NC(=O)CCN1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate?
The InChIKey is LWAKQYRCVZOYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-13-12(18)14-10(16)5-8-15-6-3-9(4-7-15)11(17)19-2/h9H,3-8H2,1-2H3,(H2,13,14,16,18).
What are the key properties of methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate?
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate has a molecular weight of 271.32 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate is sourced from PubChem (CID 60728436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).