N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide

C21H34N4O — CID 110044323

IUPACN,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)N1CCC(c2ccccc2)C(C)C1
InChIInChI=1S/C21H34N4O/c1-16(2)13-22-21(23-14-20(26)24(4)5)25-12-11-19(17(3)15-25)18-9-7-6-8-10-18/h6-10,16-17,19H,11-15H2,1-5H3,(H,22,23)
InChIKeyAQUIHHCZTPLRFI-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.80
Rot. Bonds5

About N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide (PubChem CID 110044323) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
PubChem CID110044323
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)N1CCC(c2ccccc2)C(C)C1
InChIInChI=1S/C21H34N4O/c1-16(2)13-22-21(23-14-20(26)24(4)5)25-12-11-19(17(3)15-25)18-9-7-6-8-10-18/h6-10,16-17,19H,11-15H2,1-5H3,(H,22,23)
InChIKeyAQUIHHCZTPLRFI-UHFFFAOYSA-N
XLogP2.80
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylsulfanylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110044340
N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110044338
N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
CID 110037299
N,N-dimethyl-2-[[(2-methylpropylamino)-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110041385
N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
CID 110039795
2-[[(3,4-dimethylpiperidin-1-yl)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049443
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
CID 111723403
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylpropyl)carbamimidoyl]piperidin-3-yl]acetamide;hydroiodide
CID 110044466
2-[[N-benzyl-C-(3,4-dimethylpiperidin-1-yl)carbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049419
2-[[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042344
2-[[ethylamino-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111749654
2-[[(3-benzylpyrrolidin-1-yl)-(butylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111724775

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide (CID 110044323) is N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide is CC(C)CN/C(=N\CC(=O)N(C)C)N1CCC(c2ccccc2)C(C)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide?
The InChIKey is AQUIHHCZTPLRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-16(2)13-22-21(23-14-20(26)24(4)5)25-12-11-19(17(3)15-25)18-9-7-6-8-10-18/h6-10,16-17,19H,11-15H2,1-5H3,(H,22,23).
What are the key properties of N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide has a molecular weight of 358.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110044323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).