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

C15H26N2O4 — CID 112544101

IUPACmethyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
SMILESCCOC(=O)NC1CC(C(=O)OC)CN(CC2CCC2)C1
InChIInChI=1S/C15H26N2O4/c1-3-21-15(19)16-13-7-12(14(18)20-2)9-17(10-13)8-11-5-4-6-11/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyBCHBMZJQPFSXHO-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.40
Rot. Bonds5

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

methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate (PubChem CID 112544101) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
PubChem CID112544101
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
SMILESCCOC(=O)NC1CC(C(=O)OC)CN(CC2CCC2)C1
InChIInChI=1S/C15H26N2O4/c1-3-21-15(19)16-13-7-12(14(18)20-2)9-17(10-13)8-11-5-4-6-11/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyBCHBMZJQPFSXHO-UHFFFAOYSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112543811
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate (CID 112544101) is methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate is CCOC(=O)NC1CC(C(=O)OC)CN(CC2CCC2)C1.
What is the InChIKey of methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate?
The InChIKey is BCHBMZJQPFSXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-21-15(19)16-13-7-12(14(18)20-2)9-17(10-13)8-11-5-4-6-11/h11-13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate?
methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate is sourced from PubChem (CID 112544101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).