2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

C24H39N5O2 — CID 110043159

IUPAC2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CC(N/C(=N/CC(=O)N(C)C)NCC2CCCCO2)CCN1Cc1ccccc1
InChIInChI=1S/C24H39N5O2/c1-19-15-21(12-13-29(19)18-20-9-5-4-6-10-20)27-24(26-17-23(30)28(2)3)25-16-22-11-7-8-14-31-22/h4-6,9-10,19,21-22H,7-8,11-18H2,1-3H3,(H2,25,26,27)
InChIKeyUGHCXQFJJXCHNP-UHFFFAOYSA-N
MW429.61 g/mol
LogP2.23
Rot. Bonds7

About 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110043159) has the molecular formula C24H39N5O2 and a molecular weight of 429.61 g/mol. Its IUPAC name is 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110043159
Molecular FormulaC24H39N5O2
Molecular Weight429.61 g/mol
Exact Mass429.31
IUPAC Name2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CC(N/C(=N/CC(=O)N(C)C)NCC2CCCCO2)CCN1Cc1ccccc1
InChIInChI=1S/C24H39N5O2/c1-19-15-21(12-13-29(19)18-20-9-5-4-6-10-20)27-24(26-17-23(30)28(2)3)25-16-22-11-7-8-14-31-22/h4-6,9-10,19,21-22H,7-8,11-18H2,1-3H3,(H2,25,26,27)
InChIKeyUGHCXQFJJXCHNP-UHFFFAOYSA-N
XLogP2.23
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046662
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046684
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043169
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(oxan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034302
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(4-phenylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 110039494
2-[[N'-benzyl-N-(1-benzyl-2-methylpiperidin-4-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043146
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110040963
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046652
2-[[[[1-(2-chlorophenyl)piperidin-3-yl]amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041174
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046668
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 110039127
2-[[[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046410

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110043159) is 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is CC1CC(N/C(=N/CC(=O)N(C)C)NCC2CCCCO2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is UGHCXQFJJXCHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O2/c1-19-15-21(12-13-29(19)18-20-9-5-4-6-10-20)27-24(26-17-23(30)28(2)3)25-16-22-11-7-8-14-31-22/h4-6,9-10,19,21-22H,7-8,11-18H2,1-3H3,(H2,25,26,27).
What are the key properties of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 429.61 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110043159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).