N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide

C18H32N6O2 — CID 110048000

IUPACN,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)N1CCN(C(=O)C2CCCN2C)CC1
InChIInChI=1S/C18H32N6O2/c1-5-8-19-18(20-14-16(25)21(2)3)24-12-10-23(11-13-24)17(26)15-7-6-9-22(15)4/h5,15H,1,6-14H2,2-4H3,(H,19,20)
InChIKeyRHFIXFUKBMBONQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP-0.56
Rot. Bonds5

About N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide (PubChem CID 110048000) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide
PubChem CID110048000
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC NameN,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)N1CCN(C(=O)C2CCCN2C)CC1
InChIInChI=1S/C18H32N6O2/c1-5-8-19-18(20-14-16(25)21(2)3)24-12-10-23(11-13-24)17(26)15-7-6-9-22(15)4/h5,15H,1,6-14H2,2-4H3,(H,19,20)
InChIKeyRHFIXFUKBMBONQ-UHFFFAOYSA-N
XLogP-0.56
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 5-0.56
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Oxo-3-[2-[4-[4-(prop-2-enylamino)-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]propanenitrile
CID 139889833
1-[3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 109483228
1-[3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 109483229
1-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 109483700
1-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 109483701
1-[3-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 109496607
1-[3-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 109496608
1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 109497638
1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 109497639
2-[1-[N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-N-ethylcarbamimidoyl]piperidin-4-yl]-N-methylacetamide;hydroiodide
CID 109517350
2-[1-[N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-N-ethylcarbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 109517351
2-[1-[N-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-N'-methylcarbamimidoyl]piperidin-4-yl]-N-methylacetamide;hydroiodide
CID 109518054

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide (CID 110048000) is N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide is C=CCN/C(=N\CC(=O)N(C)C)N1CCN(C(=O)C2CCCN2C)CC1.
What is the InChIKey of N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide?
The InChIKey is RHFIXFUKBMBONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-5-8-19-18(20-14-16(25)21(2)3)24-12-10-23(11-13-24)17(26)15-7-6-9-22(15)4/h5,15H,1,6-14H2,2-4H3,(H,19,20).
What are the key properties of N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide has a molecular weight of 364.49 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110048000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).