N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide

C19H31N5O4 — CID 22260579

IUPACN-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(=O)N2CCOCC2)CC1=O
InChIInChI=1S/C19H31N5O4/c1-18(2,3)11-14(21-17(27)24-7-9-28-10-8-24)16(26)22-19(13-20)5-6-23(4)15(25)12-19/h14H,5-12H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyMYXKISWAVGCBRM-UHFFFAOYSA-N
MW393.49 g/mol
LogP0.46
Rot. Bonds4

About N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide

N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 22260579) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID22260579
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC NameN-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(=O)N2CCOCC2)CC1=O
InChIInChI=1S/C19H31N5O4/c1-18(2,3)11-14(21-17(27)24-7-9-28-10-8-24)16(26)22-19(13-20)5-6-23(4)15(25)12-19/h14H,5-12H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyMYXKISWAVGCBRM-UHFFFAOYSA-N
XLogP0.46
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 86585198
N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260467
N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260603
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24992876
4-cyano-4-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 22063230
N-[1-[[4-cyano-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 131724467
N-[1-[(4-ethynyl-1-propylpiperidin-4-yl)amino]-5,5-dimethyl-1-oxohexan-2-yl]morpholine-4-carboxamide
CID 59654227
N-[N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]-4-methylpiperazine-1-carboxamide
CID 22260487
N-[1-[[3-cyano-1-(5,5-dimethyl-3-oxocyclohexen-1-yl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260507
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 23624314
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 91114761

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 22260579) is N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(=O)N2CCOCC2)CC1=O.
What is the InChIKey of N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is MYXKISWAVGCBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-18(2,3)11-14(21-17(27)24-7-9-28-10-8-24)16(26)22-19(13-20)5-6-23(4)15(25)12-19/h14H,5-12H2,1-4H3,(H,21,27)(H,22,26).
What are the key properties of N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 0.46, 4 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]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).