methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate

C15H26N2O3 — CID 119279270

IUPACmethyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2CCNCC2)CCCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-14(19)15(8-4-2-3-5-9-15)17-13(18)12-6-10-16-11-7-12/h12,16H,2-11H2,1H3,(H,17,18)
InChIKeyQUFAFPVUNNQPSP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.37
Rot. Bonds3

About methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate

methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate (PubChem CID 119279270) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate
PubChem CID119279270
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2CCNCC2)CCCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-14(19)15(8-4-2-3-5-9-15)17-13(18)12-6-10-16-11-7-12/h12,16H,2-11H2,1H3,(H,17,18)
InChIKeyQUFAFPVUNNQPSP-UHFFFAOYSA-N
XLogP1.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate?
The IUPAC name of methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate (CID 119279270) is methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate?
The canonical SMILES for methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate is COC(=O)C1(NC(=O)C2CCNCC2)CCCCCC1.
What is the InChIKey of methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate?
The InChIKey is QUFAFPVUNNQPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-14(19)15(8-4-2-3-5-9-15)17-13(18)12-6-10-16-11-7-12/h12,16H,2-11H2,1H3,(H,17,18).
What are the key properties of methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate?
methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate is sourced from PubChem (CID 119279270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).