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

C20H35N5O3 — CID 110038037

IUPAC2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NC1CCCC1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H35N5O3/c1-23(2)18(26)15-21-20(22-17-5-3-4-6-17)25-9-7-16(8-10-25)19(27)24-11-13-28-14-12-24/h16-17H,3-15H2,1-2H3,(H,21,22)
InChIKeyBIEITBUSFCBBSC-UHFFFAOYSA-N
MW393.53 g/mol
LogP0.53
Rot. Bonds4

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

2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110038037) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110038037
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC Name2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NC1CCCC1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H35N5O3/c1-23(2)18(26)15-21-20(22-17-5-3-4-6-17)25-9-7-16(8-10-25)19(27)24-11-13-28-14-12-24/h16-17H,3-15H2,1-2H3,(H,21,22)
InChIKeyBIEITBUSFCBBSC-UHFFFAOYSA-N
XLogP0.53
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 50.53
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'}

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Related Compounds

2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111671062
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
CID 112439372
N-ethyl-4-(morpholine-4-carbonyl)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
CID 112439401
N-ethyl-4-(morpholine-4-carbonyl)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide
CID 112439402
N-(4-cyano-1-methylpiperidin-4-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
CID 91126486
N-(4-cyano-1-propylpiperidin-4-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
CID 91282381
(2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide
CID 163819788

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (CID 110038037) is 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(/NC1CCCC1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is BIEITBUSFCBBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-23(2)18(26)15-21-20(22-17-5-3-4-6-17)25-9-7-16(8-10-25)19(27)24-11-13-28-14-12-24/h16-17H,3-15H2,1-2H3,(H,21,22).
What are the key properties of 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 393.53 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110038037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).