cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide

C16H26N4O3 — CID 20740282

IUPACcis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide
SMILESN#C[C@H](CCN1CCOCC1)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C16H26N4O3/c17-11-12(5-6-20-7-9-23-10-8-20)19-16(22)14-4-2-1-3-13(14)15(18)21/h12-14H,1-10H2,(H2,18,21)(H,19,22)/t12-,13-,14+/m0/s1
InChIKeyYFXPPNUSBTWQFF-MELADBBJSA-N
MW322.41 g/mol
LogP0.01
Rot. Bonds6

About cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide

cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide (PubChem CID 20740282) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide
PubChem CID20740282
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Namecis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide
SMILESN#C[C@H](CCN1CCOCC1)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C16H26N4O3/c17-11-12(5-6-20-7-9-23-10-8-20)19-16(22)14-4-2-1-3-13(14)15(18)21/h12-14H,1-10H2,(H2,18,21)(H,19,22)/t12-,13-,14+/m0/s1
InChIKeyYFXPPNUSBTWQFF-MELADBBJSA-N
XLogP0.01
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide (CID 20740282) is cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide is N#C[C@H](CCN1CCOCC1)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O.
What is the InChIKey of cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide?
The InChIKey is YFXPPNUSBTWQFF-MELADBBJSA-N. The full InChI is InChI=1S/C16H26N4O3/c17-11-12(5-6-20-7-9-23-10-8-20)19-16(22)14-4-2-1-3-13(14)15(18)21/h12-14H,1-10H2,(H2,18,21)(H,19,22)/t12-,13-,14+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide?
cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-[(1S)-1-cyano-3-morpholin-4-ylpropyl]cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 20740282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).