2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide

C18H30N4O2 — CID 22063180

IUPAC2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(C#N)(NC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(17(20)24)22-11-9-18(13-19,10-12-22)21-16(23)8-7-15-5-3-2-4-6-15/h14-15H,2-12H2,1H3,(H2,20,24)(H,21,23)
InChIKeyALFDYKDLNDKLOK-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.70
Rot. Bonds6

About 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide

2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide (PubChem CID 22063180) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide
PubChem CID22063180
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(C#N)(NC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(17(20)24)22-11-9-18(13-19,10-12-22)21-16(23)8-7-15-5-3-2-4-6-15/h14-15H,2-12H2,1H3,(H2,20,24)(H,21,23)
InChIKeyALFDYKDLNDKLOK-UHFFFAOYSA-N
XLogP1.70
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide?
The IUPAC name of 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide (CID 22063180) is 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide?
The canonical SMILES for 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC(C#N)(NC(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide?
The InChIKey is ALFDYKDLNDKLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(17(20)24)22-11-9-18(13-19,10-12-22)21-16(23)8-7-15-5-3-2-4-6-15/h14-15H,2-12H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide?
2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-4-(3-cyclohexylpropanoylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 22063180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).