methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate

C15H26N2O3 — CID 120619653

IUPACmethyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@H]2CCN[C@@H](C)C2)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11-10-12(6-9-16-11)13(18)17-15(14(19)20-2)7-4-3-5-8-15/h11-12,16H,3-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyOLOFRVYZZDEKAE-RYUDHWBXSA-N
MW282.38 g/mol
LogP1.37
Rot. Bonds3

About methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate

methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 120619653) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID120619653
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@H]2CCN[C@@H](C)C2)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11-10-12(6-9-16-11)13(18)17-15(14(19)20-2)7-4-3-5-8-15/h11-12,16H,3-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyOLOFRVYZZDEKAE-RYUDHWBXSA-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-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate (CID 120619653) is methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)[C@H]2CCN[C@@H](C)C2)CCCCC1.
What is the InChIKey of methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is OLOFRVYZZDEKAE-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-10-12(6-9-16-11)13(18)17-15(14(19)20-2)7-4-3-5-8-15/h11-12,16H,3-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-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-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 120619653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).