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

C23H38N6O5 — CID 86585198

IUPACN-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H38N6O5/c1-22(2,3)16-18(25-20(31)27-8-12-33-13-9-27)19(30)26-23(17-24)4-6-28(7-5-23)21(32)29-10-14-34-15-11-29/h18H,4-16H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyHLETXCHIOQPSIJ-UHFFFAOYSA-N
MW478.59 g/mol
LogP0.76
Rot. Bonds4

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

N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 86585198) has the molecular formula C23H38N6O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID86585198
Molecular FormulaC23H38N6O5
Molecular Weight478.59 g/mol
Exact Mass478.29
IUPAC NameN-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H38N6O5/c1-22(2,3)16-18(25-20(31)27-8-12-33-13-9-27)19(30)26-23(17-24)4-6-28(7-5-23)21(32)29-10-14-34-15-11-29/h18H,4-16H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyHLETXCHIOQPSIJ-UHFFFAOYSA-N
XLogP0.76
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260579
N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260603
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-[(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-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 23624314
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 76654308
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
2-[3-[[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]carbamoyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 76654382

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 86585198) is N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CC(C)(C)CC(NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is HLETXCHIOQPSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O5/c1-22(2,3)16-18(25-20(31)27-8-12-33-13-9-27)19(30)26-23(17-24)4-6-28(7-5-23)21(32)29-10-14-34-15-11-29/h18H,4-16H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 86585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).