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

C21H37N5O3 — CID 22260467

IUPACN-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H37N5O3/c1-5-8-25-9-6-21(16-22,7-10-25)24-18(27)17(15-20(2,3)4)23-19(28)26-11-13-29-14-12-26/h17H,5-15H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyMLJLTOGPAKLYJE-UHFFFAOYSA-N
MW407.56 g/mol
LogP1.72
Rot. Bonds6

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

N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 22260467) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID22260467
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC NameN-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H37N5O3/c1-5-8-25-9-6-21(16-22,7-10-25)24-18(27)17(15-20(2,3)4)23-19(28)26-11-13-29-14-12-26/h17H,5-15H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyMLJLTOGPAKLYJE-UHFFFAOYSA-N
XLogP1.72
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260579
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-[[(carbamoylamino)-morpholin-4-ylmethylidene]amino]-N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethylpentanamide
CID 90852865
N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide
CID 10116950
N-[1-[[4-(cyanomethyl)-1-propylpiperidin-4-yl]amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl]-1,4-oxazepane-4-carboxamide
CID 142942655
N-(4-cyano-1-propylpiperidin-4-yl)-4,4-dimethyl-2-[[morpholin-4-yl-(2-morpholin-4-ylethylcarbamoylamino)methylidene]amino]pentanamide
CID 91242483
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-methylpiperidin-4-yl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 76654308
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 22260467) is N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is MLJLTOGPAKLYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-5-8-25-9-6-21(16-22,7-10-25)24-18(27)17(15-20(2,3)4)23-19(28)26-11-13-29-14-12-26/h17H,5-15H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 1.72, 6 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-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).