N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

C22H35N5O4 — CID 22260577

IUPACN-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCC(=O)N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H35N5O4/c1-17(28)26-9-7-22(16-23,8-10-26)25-20(29)19(15-18-5-3-2-4-6-18)24-21(30)27-11-13-31-14-12-27/h18-19H,2-15H2,1H3,(H,24,30)(H,25,29)
InChIKeyNKVJGPZPTYWGLR-UHFFFAOYSA-N
MW433.55 g/mol
LogP1.39
Rot. Bonds5

About N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260577) has the molecular formula C22H35N5O4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260577
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC NameN-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCC(=O)N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H35N5O4/c1-17(28)26-9-7-22(16-23,8-10-26)25-20(29)19(15-18-5-3-2-4-6-18)24-21(30)27-11-13-31-14-12-27/h18-19H,2-15H2,1H3,(H,24,30)(H,25,29)
InChIKeyNKVJGPZPTYWGLR-UHFFFAOYSA-N
XLogP1.39
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260577) is N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is CC(=O)N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is NKVJGPZPTYWGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4/c1-17(28)26-9-7-22(16-23,8-10-26)25-20(29)19(15-18-5-3-2-4-6-18)24-21(30)27-11-13-31-14-12-27/h18-19H,2-15H2,1H3,(H,24,30)(H,25,29).
What are the key properties of N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-acetyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).