4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide

C16H25N3O2 — CID 83096714

IUPAC4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESCC1CCC(C#N)C(N2CCOCC2C(=O)NC2CC2)C1
InChIInChI=1S/C16H25N3O2/c1-11-2-3-12(9-17)14(8-11)19-6-7-21-10-15(19)16(20)18-13-4-5-13/h11-15H,2-8,10H2,1H3,(H,18,20)
InChIKeyMRVKELSNSHKOBU-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.29
Rot. Bonds3

About 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide

4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83096714) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83096714
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESCC1CCC(C#N)C(N2CCOCC2C(=O)NC2CC2)C1
InChIInChI=1S/C16H25N3O2/c1-11-2-3-12(9-17)14(8-11)19-6-7-21-10-15(19)16(20)18-13-4-5-13/h11-15H,2-8,10H2,1H3,(H,18,20)
InChIKeyMRVKELSNSHKOBU-UHFFFAOYSA-N
XLogP1.29
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide
CID 83098486
2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
CID 83103021
N-cyclopropyl-4-[4-(methylamino)cyclohexyl]morpholine-3-carboxamide
CID 114763535
4-(2-cyanocyclohexyl)-N-ethylmorpholine-3-carboxamide
CID 83097101
4-(2-cyanocycloheptyl)morpholine-3-carboxamide
CID 83102320
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
CID 83103874
methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate
CID 43291778
4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83104855
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide (CID 83096714) is 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide is CC1CCC(C#N)C(N2CCOCC2C(=O)NC2CC2)C1.
What is the InChIKey of 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is MRVKELSNSHKOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-2-3-12(9-17)14(8-11)19-6-7-21-10-15(19)16(20)18-13-4-5-13/h11-15H,2-8,10H2,1H3,(H,18,20).
What are the key properties of 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83096714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).