N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

C22H37N5O3 — CID 22260549

About N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260549) has the molecular formula C22H37N5O3 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
• PubChem CID: 22260549
• Molecular Formula: C22H37N5O3
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.29
• IUPAC Name: N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
• SMILES: CC1CN(C)CCC1(C#N)NC(=O)C(CC1CCCCC1)NC(=O)N1CCOCC1
• InChI: InChI=1S/C22H37N5O3/c1-17-15-26(2)9-8-22(17,16-23)25-20(28)19(14-18-6-4-3-5-7-18)24-21(29)27-10-12-30-13-11-27/h17-19H,3-15H2,1-2H3,(H,24,29)(H,25,28)
• InChIKey: QGKXTNYUPCFKFE-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 97.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?

The IUPAC name of N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260549) is N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

What is the SMILES notation for N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?

The canonical SMILES for N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is CC1CN(C)CCC1(C#N)NC(=O)C(CC1CCCCC1)NC(=O)N1CCOCC1.

What is the InChIKey of N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?

The InChIKey is QGKXTNYUPCFKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O3/c1-17-15-26(2)9-8-22(17,16-23)25-20(28)19(14-18-6-4-3-5-7-18)24-21(29)27-10-12-30-13-11-27/h17-19H,3-15H2,1-2H3,(H,24,29)(H,25,28).

What are the key properties of N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?

N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).