methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

C13H23N3O4 — CID 60638894

IUPACmethyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCNC(=O)NC(=O)C(C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H23N3O4/c1-4-14-13(19)15-11(17)9(2)16-7-5-10(6-8-16)12(18)20-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17,19)
InChIKeyILUDCOBTUPVQSM-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.11
Rot. Bonds4

About methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 60638894) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID60638894
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Namemethyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCNC(=O)NC(=O)C(C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H23N3O4/c1-4-14-13(19)15-11(17)9(2)16-7-5-10(6-8-16)12(18)20-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17,19)
InChIKeyILUDCOBTUPVQSM-UHFFFAOYSA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8754673
2-(4-amino-3-ethylpiperidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 81460901
(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 95269319
1-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37178321
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 51094827
(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 94812868
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 60638894) is methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is CCNC(=O)NC(=O)C(C)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is ILUDCOBTUPVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-14-13(19)15-11(17)9(2)16-7-5-10(6-8-16)12(18)20-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17,19).
What are the key properties of methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 60638894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).