2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide

C19H34F3N5O — CID 109377773

IUPAC2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide
SMILESCCN/C(=N\CCNC(=O)CC1CCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C19H34F3N5O/c1-3-23-18(25-9-8-24-17(28)14-16-6-4-5-7-16)27-12-10-26(11-13-27)15(2)19(20,21)22/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyJAKIUSAOJCRUBF-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.22
Rot. Bonds7

About 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide

2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide (PubChem CID 109377773) has the molecular formula C19H34F3N5O and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide
PubChem CID109377773
Molecular FormulaC19H34F3N5O
Molecular Weight405.51 g/mol
Exact Mass405.27
IUPAC Name2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide
SMILESCCN/C(=N\CCNC(=O)CC1CCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C19H34F3N5O/c1-3-23-18(25-9-8-24-17(28)14-16-6-4-5-7-16)27-12-10-26(11-13-27)15(2)19(20,21)22/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyJAKIUSAOJCRUBF-UHFFFAOYSA-N
XLogP2.22
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]ethyl]-N-methylacetamide
CID 145819403
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]-N-methylacetamide
CID 145819422
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 145819429
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-[N,N'-di(propan-2-yl)carbamimidoyl]piperazin-1-yl]-N-methylacetamide
CID 145819431
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-methylacetamide
CID 145819434
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376060
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376061
N-[3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]propyl]cyclobutanecarboxamide
CID 109376505
N,N-dimethyl-1-[[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 109376556
N,N-dimethyl-1-[[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 109376557
N-[2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 109377610
N-[2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]ethyl]cyclohexanecarboxamide
CID 109377611

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide (CID 109377773) is 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide is CCN/C(=N\CCNC(=O)CC1CCCC1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide?
The InChIKey is JAKIUSAOJCRUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N5O/c1-3-23-18(25-9-8-24-17(28)14-16-6-4-5-7-16)27-12-10-26(11-13-27)15(2)19(20,21)22/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,28).
What are the key properties of 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide?
2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide has a molecular weight of 405.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide is sourced from PubChem (CID 109377773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).