methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate

C17H30N2O3 — CID 8741766

IUPACmethyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1
InChIInChI=1S/C17H30N2O3/c1-12-6-4-5-7-15(12)18-16(20)13(2)19-10-8-14(9-11-19)17(21)22-3/h12-15H,4-11H2,1-3H3,(H,18,20)/t12-,13+,15-/m0/s1
InChIKeyUYCWJPDGDMPOOZ-GUTXKFCHSA-N
MW310.44 g/mol
LogP1.95
Rot. Bonds4

About methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate

methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 8741766) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID8741766
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Namemethyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1
InChIInChI=1S/C17H30N2O3/c1-12-6-4-5-7-15(12)18-16(20)13(2)19-10-8-14(9-11-19)17(21)22-3/h12-15H,4-11H2,1-3H3,(H,18,20)/t12-,13+,15-/m0/s1
InChIKeyUYCWJPDGDMPOOZ-GUTXKFCHSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

(2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 97349945
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 124734501
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 95622503
methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8754673
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 8746280
2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide
CID 136514098
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916
1-O-tert-butyl 4-O-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate
CID 8924509

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 8741766) is methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate is COC(=O)C1CCN([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1.
What is the InChIKey of methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is UYCWJPDGDMPOOZ-GUTXKFCHSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-12-6-4-5-7-15(12)18-16(20)13(2)19-10-8-14(9-11-19)17(21)22-3/h12-15H,4-11H2,1-3H3,(H,18,20)/t12-,13+,15-/m0/s1.
What are the key properties of methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate?
methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 8741766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).