ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate

C14H24N2O4 — CID 112543155

IUPACethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC2CC2)CC(NC(=O)OC)C1
InChIInChI=1S/C14H24N2O4/c1-3-20-14(18)16-8-11(6-10-4-5-10)7-12(9-16)15-13(17)19-2/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyACPDWLOEIKFTHL-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.99
Rot. Bonds4

About ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate

ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate (PubChem CID 112543155) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
PubChem CID112543155
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC2CC2)CC(NC(=O)OC)C1
InChIInChI=1S/C14H24N2O4/c1-3-20-14(18)16-8-11(6-10-4-5-10)7-12(9-16)15-13(17)19-2/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyACPDWLOEIKFTHL-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542221
methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543231
ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83999858
ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83989098
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542210
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544027
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate (CID 112543155) is ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CC(CC2CC2)CC(NC(=O)OC)C1.
What is the InChIKey of ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate?
The InChIKey is ACPDWLOEIKFTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-20-14(18)16-8-11(6-10-4-5-10)7-12(9-16)15-13(17)19-2/h10-12H,3-9H2,1-2H3,(H,15,17).
What are the key properties of ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate?
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 112543155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).