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

C21H33N5O4 — CID 22260537

IUPACN-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCN1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1=O
InChIInChI=1S/C21H33N5O4/c1-25-8-7-21(15-22,14-18(25)27)24-19(28)17(13-16-5-3-2-4-6-16)23-20(29)26-9-11-30-12-10-26/h16-17H,2-14H2,1H3,(H,23,29)(H,24,28)
InChIKeyAZIGOCAZMZTOOB-UHFFFAOYSA-N
MW419.53 g/mol
LogP1.00
Rot. Bonds5

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

N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260537) has the molecular formula C21H33N5O4 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260537
Molecular FormulaC21H33N5O4
Molecular Weight419.53 g/mol
Exact Mass419.25
IUPAC NameN-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCN1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1=O
InChIInChI=1S/C21H33N5O4/c1-25-8-7-21(15-22,14-18(25)27)24-19(28)17(13-16-5-3-2-4-6-16)23-20(29)26-9-11-30-12-10-26/h16-17H,2-14H2,1H3,(H,23,29)(H,24,28)
InChIKeyAZIGOCAZMZTOOB-UHFFFAOYSA-N
XLogP1.00
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260537) is N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is CN1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1=O.
What is the InChIKey of N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is AZIGOCAZMZTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4/c1-25-8-7-21(15-22,14-18(25)27)24-19(28)17(13-16-5-3-2-4-6-16)23-20(29)26-9-11-30-12-10-26/h16-17H,2-14H2,1H3,(H,23,29)(H,24,28).
What are the key properties of N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 1.00, 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-methyl-2-oxopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).