ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate

C18H33N3O3 — CID 25384080

IUPACethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C18H33N3O3/c1-2-24-17(22)11-12-19-18(23)20-15-8-7-13-21(14-15)16-9-5-3-4-6-10-16/h15-16H,2-14H2,1H3,(H2,19,20,23)/t15-/m1/s1
InChIKeyMGCNXSBKMICBOA-OAHLLOKOSA-N
MW339.48 g/mol
LogP2.43
Rot. Bonds6

About ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate

ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate (PubChem CID 25384080) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
PubChem CID25384080
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nameethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C18H33N3O3/c1-2-24-17(22)11-12-19-18(23)20-15-8-7-13-21(14-15)16-9-5-3-4-6-10-16/h15-16H,2-14H2,1H3,(H2,19,20,23)/t15-/m1/s1
InChIKeyMGCNXSBKMICBOA-OAHLLOKOSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
ethyl 3-[(1-cycloheptyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoate
CID 45246068
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111817
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate
CID 61223451

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate?
The IUPAC name of ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate (CID 25384080) is ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate is CCOC(=O)CCNC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate?
The InChIKey is MGCNXSBKMICBOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-2-24-17(22)11-12-19-18(23)20-15-8-7-13-21(14-15)16-9-5-3-4-6-10-16/h15-16H,2-14H2,1H3,(H2,19,20,23)/t15-/m1/s1.
What are the key properties of ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate?
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate has a molecular weight of 339.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate is sourced from PubChem (CID 25384080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).