2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide

C19H35N5O3 — CID 110038053

IUPAC2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H35N5O3/c1-5-15(2)21-19(20-14-17(25)22(3)4)24-8-6-16(7-9-24)18(26)23-10-12-27-13-11-23/h15-16H,5-14H2,1-4H3,(H,20,21)
InChIKeyOPGUGTILLYBGPI-UHFFFAOYSA-N
MW381.52 g/mol
LogP0.39
Rot. Bonds5

About 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide

2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110038053) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110038053
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Name2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H35N5O3/c1-5-15(2)21-19(20-14-17(25)22(3)4)24-8-6-16(7-9-24)18(26)23-10-12-27-13-11-23/h15-16H,5-14H2,1-4H3,(H,20,21)
InChIKeyOPGUGTILLYBGPI-UHFFFAOYSA-N
XLogP0.39
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111671052
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111671061
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111671062
N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111984610
N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111984611
N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111984614
N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111984615
N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 112019728
N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 112019729
N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 112019732
N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 112019733
N'-methyl-4-(morpholine-4-carbonyl)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
CID 112439371

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (CID 110038053) is 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is CCC(C)N/C(=N\CC(=O)N(C)C)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is OPGUGTILLYBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-5-15(2)21-19(20-14-17(25)22(3)4)24-8-6-16(7-9-24)18(26)23-10-12-27-13-11-23/h15-16H,5-14H2,1-4H3,(H,20,21).
What are the key properties of 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 381.52 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110038053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).