2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

C22H41N5O3 — CID 110043461

IUPAC2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCN1CCOCC1)N1CCC(OCC2CCCC2)CC1
InChIInChI=1S/C22H41N5O3/c1-25(2)21(28)17-24-22(23-9-12-26-13-15-29-16-14-26)27-10-7-20(8-11-27)30-18-19-5-3-4-6-19/h19-20H,3-18H2,1-2H3,(H,23,24)
InChIKeyDWZVJIJFTGYIMO-UHFFFAOYSA-N
MW423.60 g/mol
LogP1.02
Rot. Bonds8

About 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110043461) has the molecular formula C22H41N5O3 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110043461
Molecular FormulaC22H41N5O3
Molecular Weight423.60 g/mol
Exact Mass423.32
IUPAC Name2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCN1CCOCC1)N1CCC(OCC2CCCC2)CC1
InChIInChI=1S/C22H41N5O3/c1-25(2)21(28)17-24-22(23-9-12-26-13-15-29-16-14-26)27-10-7-20(8-11-27)30-18-19-5-3-4-6-19/h19-20H,3-18H2,1-2H3,(H,23,24)
InChIKeyDWZVJIJFTGYIMO-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043470
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-(4-phenoxypiperidin-1-yl)methylidene]amino]acetamide
CID 110042829
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110040030
2-[[(cyclohexylmethylamino)-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043430
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110038625
2-[[butylamino-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110043401
2-[[(3-ethoxypropylamino)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043056
N,N-dimethyl-2-[[[3-(2-methylpropyl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111734376
2-[[[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111748619
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidin-3-yl]acetamide;hydroiodide
CID 110044456
N,N-dimethyl-2-[[[4-(oxan-2-ylmethoxy)piperidin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 110043058
2-[[2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110048380

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110043461) is 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCCN1CCOCC1)N1CCC(OCC2CCCC2)CC1.
What is the InChIKey of 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is DWZVJIJFTGYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O3/c1-25(2)21(28)17-24-22(23-9-12-26-13-15-29-16-14-26)27-10-7-20(8-11-27)30-18-19-5-3-4-6-19/h19-20H,3-18H2,1-2H3,(H,23,24).
What are the key properties of 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 423.60 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110043461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).