methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate

C15H27N3O3 — CID 94824655

IUPACmethyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)N[C@H]2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-11-4-3-5-13(10-11)17-14(19)16-12-6-8-18(9-7-12)15(20)21-2/h11-13H,3-10H2,1-2H3,(H2,16,17,19)/t11-,13+/m1/s1
InChIKeyDMEUBOAMSINCFI-YPMHNXCESA-N
MW297.40 g/mol
LogP2.10
Rot. Bonds2

About methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate

methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 94824655) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID94824655
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Namemethyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)N[C@H]2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-11-4-3-5-13(10-11)17-14(19)16-12-6-8-18(9-7-12)15(20)21-2/h11-13H,3-10H2,1-2H3,(H2,16,17,19)/t11-,13+/m1/s1
InChIKeyDMEUBOAMSINCFI-YPMHNXCESA-N
XLogP2.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate (CID 94824655) is methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)N[C@H]2CCC[C@@H](C)C2)CC1.
What is the InChIKey of methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is DMEUBOAMSINCFI-YPMHNXCESA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-4-3-5-13(10-11)17-14(19)16-12-6-8-18(9-7-12)15(20)21-2/h11-13H,3-10H2,1-2H3,(H2,16,17,19)/t11-,13+/m1/s1.
What are the key properties of methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate?
methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 94824655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).