N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide

C15H25ClN4O2 — CID 141335258

IUPACN-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide
SMILESCCCCOC1CNCCC1NC(=O)c1nc(Cl)c(CC)[nH]1
InChIInChI=1S/C15H25ClN4O2/c1-3-5-8-22-12-9-17-7-6-11(12)19-15(21)14-18-10(4-2)13(16)20-14/h11-12,17H,3-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyASXDXXKYRCZIFF-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.90
Rot. Bonds7

About N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide

N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide (PubChem CID 141335258) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide
PubChem CID141335258
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC NameN-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide
SMILESCCCCOC1CNCCC1NC(=O)c1nc(Cl)c(CC)[nH]1
InChIInChI=1S/C15H25ClN4O2/c1-3-5-8-22-12-9-17-7-6-11(12)19-15(21)14-18-10(4-2)13(16)20-14/h11-12,17H,3-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyASXDXXKYRCZIFF-UHFFFAOYSA-N
XLogP1.90
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide (CID 141335258) is N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide is CCCCOC1CNCCC1NC(=O)c1nc(Cl)c(CC)[nH]1.
What is the InChIKey of N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide?
The InChIKey is ASXDXXKYRCZIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O2/c1-3-5-8-22-12-9-17-7-6-11(12)19-15(21)14-18-10(4-2)13(16)20-14/h11-12,17H,3-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide?
N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 141335258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).