N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide

C22H40N6O4S — CID 10116950

IUPACN-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide
SMILESCCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)/N=C(\NS(C)(=O)=O)N2CCOCC2)CC1
InChIInChI=1S/C22H40N6O4S/c1-6-9-27-10-7-22(17-23,8-11-27)25-19(29)18(16-21(2,3)4)24-20(26-33(5,30)31)28-12-14-32-15-13-28/h18H,6-16H2,1-5H3,(H,24,26)(H,25,29)
InChIKeyHORWGRRUYCJULB-UHFFFAOYSA-N
MW484.67 g/mol
LogP0.91
Rot. Bonds7

About N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide

N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide (PubChem CID 10116950) has the molecular formula C22H40N6O4S and a molecular weight of 484.67 g/mol. Its IUPAC name is N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide
PubChem CID10116950
Molecular FormulaC22H40N6O4S
Molecular Weight484.67 g/mol
Exact Mass484.28
IUPAC NameN-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide
SMILESCCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)/N=C(\NS(C)(=O)=O)N2CCOCC2)CC1
InChIInChI=1S/C22H40N6O4S/c1-6-9-27-10-7-22(17-23,8-11-27)25-19(29)18(16-21(2,3)4)24-20(26-33(5,30)31)28-12-14-32-15-13-28/h18H,6-16H2,1-5H3,(H,24,26)(H,25,29)
InChIKeyHORWGRRUYCJULB-UHFFFAOYSA-N
XLogP0.91
TPSA127.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide
CID 91489395
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)-4,4-dimethyl-2-[[morpholin-4-yl-(2-morpholin-4-ylethylcarbamoylamino)methylidene]amino]pentanamide
CID 91242483
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-[3-cyano-1-(2-phenylethyl)pyrrolidin-3-yl]-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide
CID 91523235
2-morpholin-4-ylethyl N-[N-[1-[(1-cyanocyclopropyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 20825350
N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260467
N-(4-cyano-1-propylpiperidin-4-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
CID 91282381
ethyl N-[N-[1-[(1-benzyl-4-cyanopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10186586
ethyl N-[N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 22091416
2-propan-2-yloxyethyl N-[N-[1-[(1-cyanocyclopentyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 20825346
N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4,4-dimethylpentanamide
CID 91429548

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide?
The IUPAC name of N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide (CID 10116950) is N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide.
What is the SMILES notation for N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide?
The canonical SMILES for N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide is CCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)/N=C(\NS(C)(=O)=O)N2CCOCC2)CC1.
What is the InChIKey of N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide?
The InChIKey is HORWGRRUYCJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N6O4S/c1-6-9-27-10-7-22(17-23,8-11-27)25-19(29)18(16-21(2,3)4)24-20(26-33(5,30)31)28-12-14-32-15-13-28/h18H,6-16H2,1-5H3,(H,24,26)(H,25,29).
What are the key properties of N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide?
N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide has a molecular weight of 484.67 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-propylpiperidin-4-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4,4-dimethylpentanamide is sourced from PubChem (CID 10116950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).