methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate

C14H24N2O4 — CID 112543460

IUPACmethyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
SMILESCOC(=O)NC1CC(C(=O)OC)CN(CC2CCC2)C1
InChIInChI=1S/C14H24N2O4/c1-19-13(17)11-6-12(15-14(18)20-2)9-16(8-11)7-10-4-3-5-10/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyASKRZSHITKWEFN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.01
Rot. Bonds4

About methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate

methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate (PubChem CID 112543460) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
PubChem CID112543460
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
SMILESCOC(=O)NC1CC(C(=O)OC)CN(CC2CCC2)C1
InChIInChI=1S/C14H24N2O4/c1-19-13(17)11-6-12(15-14(18)20-2)9-16(8-11)7-10-4-3-5-10/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyASKRZSHITKWEFN-UHFFFAOYSA-N
XLogP1.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112544101
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
CID 112542985
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate (CID 112543460) is methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate is COC(=O)NC1CC(C(=O)OC)CN(CC2CCC2)C1.
What is the InChIKey of methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate?
The InChIKey is ASKRZSHITKWEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-19-13(17)11-6-12(15-14(18)20-2)9-16(8-11)7-10-4-3-5-10/h10-12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate?
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate is sourced from PubChem (CID 112543460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).